The benzene molecule lies about a threefold rotoinversion axis.In the title compound, [Sn(C DOI: 10.1107/S1600536811055474/is5011Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Yb3+ ion has a distorted square-antiprismatic coordination formed by one aqua ligand, two O atoms from an oxalate ligand and five O atoms belonging to four terephthalate anions. Two symmetry-independent terephthalate anions, as well as the oxalate anion, occupy special positions on inversion centers. The water molecule participates in O—H⋯O hydrogen bonding with both terephthalate anions.The crystal structure of the title complex, [Yb DOI: 10.1107/S1600536810033052/ya2126Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, molecules are linked via pairs of O—H⋯O hydrogen bonds, forming inversion dimers.In the title compound, C DOI: 10.1107/S1600536811052275/fj2486Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811052275/fj2486Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The resulting supramolecular chain is a 31 helix along the c axis. These chains are linked via intermolecular Pb⋯O,N interactions, as well as O—H⋯O hydrogen bonds.The Pb atom in the polymeric title compound, {[Pb(C DOI: 10.1107/S1600536811043078/su2329Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the structure, the AlIII and SnIV atoms occupy the same site on a threefold rotation axis with occupational disorder in a 1:1 ratio. In the three-dimensional structure, Al/SnO6 octahedra and PO4 tetrahedra are interconnected via their vertices, yielding a [Al/SnP3O12]n framework. The K atoms (site symmetry 3) reside in the large cavities delimited by the [Al/SnP3O12]n framework, and are surrounded by 12 O atoms.Single crystals of the title compound, dipotassium aluminium tin(IV) tris[phosphate(V)], K DOI: 10.1107/S1600536811037263/fi2112Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The bridging function of the Br atoms leads to a chain structure along [100]. Interchain C—H⋯Br hydrogen bonds and π–π contacts between the thiazole rings [centroid–centroid distances = 3.810 (5) and 3.679 (5) Å] are observed.In the title coordination polymer, [CdBr DOI: 10.1107/S1600536811020861/hy2437Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The structure of the complex molecule consists of four approximately planar fragments: two 3-(3-hydroxyphenyl)propenoate residues and two 2,2′-bipyridine ligands [largest deviation from the least-squares planes is 0.240 (1) Å for one of 3-(3-hydroxyphenyl)propenoate residues]. The dihedral angles formed by the least-squares planes of the 2,2′-bipyridine ligands and the opposite 3-(3-hydroxyphenyl)propenoate residues are 22.68 (7) and 26.47 (6)°. The CdN4O4 coordination polyhedron can be described as distorted dodecahedral. Intermolecular O—H⋯O hydrogen bonds between carboxylate O atoms and hydroxy groups lead to the formation of chains along the a-axis direction.The title compound, [Cd(C DOI: 10.1107/S1600536811050847/yk2032Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each Cu2+ cation is coordinated by two pyridine N atoms from symmetry-related 4,4;6,6-bis-2,2-bis{2-phenoxy}cyclotriphosphazene (L) ligands, a pair of bridging Cl− anions and a terminal Cl− anion, forming a distorted CuCl3N2 square-pyramidal geometry. Weak intramolecular C—H⋯O and intermolecular C—H⋯N interactions occur in the crystal.In the crystal of the title compound, [Cu DOI: 10.1107/S1600536812016285/xu5503Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The asymmetric unit also contains one dichloromethane solvent molecule. The unique methoxy-substituted benzene rings form dihedral angles of 59.38 (6) and 66.77 (6)° with the mean plane (r.m.s. deviation of fitted atoms = 0.0282 Å) of the atoms in the porphyrin core. The packing is characterized by close contacts between the ZnII ion and two symmetry-related molecules through the O atoms of a methoxyphenyl group [Zn⋯O = 2.694 (2) Å], forming a two-dimensional network parallel to (100).In the title compound, [Zn(C DOI: 10.1107/S1600536813019338/lh5631Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the mononuclear species, the carbodithioate ligand is unsymmetrically coordinated to the SnIV atom, with Sn—S distances of 2.6722 (12) and 2.4706 (11) Å. All atoms with the exception of the methyl groups and one of the pyrrolidine ring CH2 groups lie on a crystallographic mirror plane. The pyrrolidine ring exhibits an envelope conformation; the C atom at the flap is disordered above and below the plane of symmetry with fixed occupation factors of 0.50. The centrosymmetric dimer species consists of a central Sn2O2 unit with two adjacent Sn2OCl four-membered rings.In the title co-crystal, [Sn DOI: 10.1107/S1600536812017485/lr2051Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials: interactive version of Fig. 1Enhanced figure:


Two SbF6               − anions are positioned on opposite sides of the plane through the CuN2O2 unit, generating an axially distorted CuN2O2F2 octahedral geometry for the metal ion.In the title compound, [Cu(C DOI: 10.1107/S1600536810048658/hb5747Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II atom in the complex cation of the title compound, [PdCl(C21H16N4)]Cl, is coordinated by three N atoms derived from the terpyridine ligand and a chloride ion, which define a distorted PdClN3 square-planar coordination geometry. In the crystal, the presence of N—H⋯Cl hydrogen bonds involving the amino H atom and chloride anions link two cations and two anions into a four-ion aggregate via centrosymmetric eight-membered [⋯H—N—H⋯Cl]2 synthons. Layers of cations are interspersed with the chloride anions with stabilization provided by C—H⋯Cl interactions involving both Cl atoms, as well as π–π interactions [the closest interaction of 3.489 (6) Å occurs between a chelate ring and a pyridyl residue].The Pd DOI: 10.1107/S1600536811018125/hb5880Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The anion bridges two symmetry-related Sn(IV) ions and the resulting polymeric chains are parallel to [201] in the crystal. Et3NH+ cations are inserted between the chains. The coordination of the Sn(IV) atom is completed by three phenyl ligands, giving a distorted trigonal–bipyramidal geometry.The title compound, {(C DOI: 10.1107/S1600536810052402/bh2324Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In each, the W atom is coordinated by five CO groups and the S atom of the benzencarbothioamide ligand in a distorted octahedral geometry. The crystal packing can be described as undulating layers of W(CO)5 and benzenecarbothioamide parallel to (001). In the crystal, components are linked via intermolecular N—H⋯O and C—H⋯O hydrogen bonds to form a dimeric chains along the [010] direction. Intramolecular N—H⋯C interactions are also observed.The asymmetric unit of the title complex, [W(C DOI: 10.1107/S1600536811008579/zk2003Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, C—H⋯Br hydrogen bonds and π–π stacking interactions between the pyridine rings [centroid–centroid distance = 3.763 (5) Å] are present.In the title compound, [CdBr DOI: 10.1107/S1600536812033648/hy2576Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Two coordination sites are occupied by a P,S-chelating 2-(diphenylphosphanyl)benzenethiolate ligand and the other two by a P atom from a triphenylphosphine ligand and an S atom from a pyridine-2-thiolate ligand, exhibiting a trans arrangement of the two P-donor atoms. In the crystal structure, weak intra- and intermolecular C—H⋯π and π–π interactions are observed. The pyridyl ring is equally disordered over two positions.In the title compound, [Pd(C DOI: 10.1107/S160053681003357X/hy2339Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


As expected, the complexes from the corresponding l and d isomers of valine crystallize in enantiomorphic space groups . In the crystal, N—H⋯O and N—H⋯F hydrogen bonding is observed, the N—H to carbonyl oxygen hydrogen bond producing a helical motif that proceeds along the 41 screw of the c axis.The title compound, [Ir(C H(C3H9P)3]PF6·0.675CH2Cl2 = 0.031wR(F2) = 0.046S = 0.819371 reflections301 parameters2 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 0.70 e Å−3Δρmin = −0.61 e Å−3ΔρI+)−(I−)]/[(I+)+(I−)] CrysAlis PRO  used to solve structure: SHELXS97  I. DOI: 10.1107/S1600536814002165/pk2516Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536814002165/pk2516Isup3.molSupporting information file. DOI: CCDC reference:  crystallographic information; 3D view; checkCIF reportAdditional supporting information:


In the crystal, the components are linked by O—H⋯O and N—H⋯O hydrogen bonds, the latter, involving pyrimidinium cations and sulfate anions, generating R22(8) loops. These, together with π–π interactions between centrosymmetrically related pyrimidinium cations [centroid–centroid separation = 3.5460 (8) Å], lead to the formation of a three-dimensional network.In the title hydrated mixed-cation salt, (C DOI: Click here for additional data file.10.1107/S1600536813002146/hb7029Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The bridging function of the cis ligands leads to a helical chain structure along [100].In the title coordination polymer, [HgBr DOI: 10.1107/S1600536811028066/hg5063Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The bridging Mn2O2 group is built of phenoxy groups, and is asymmetric, with an Mn—O distances of 1.9002 (13) and 2.6236 (14) Å. A substantial cavity between the two Mn atoms [Mn⋯Mn = 3.5082 (4) Å] is produced by the formation of the dimer. In the crystal, an extended network of O—H⋯O hydrogen-bonding interactions stabilizes the structure.The molecules of the title compound, [Mn(C DOI: 10.1107/S1600536811026584/om2428Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536811046022/hy2482Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II atom in the title salt, [Zn(C5H5N3O2)2(H2O)2](NO3)2, is N,O-chelated by a zwitterionic aminopyraziniocarboxylate unit; the metal atom, which lies on a center of inversion, shows an octahedral coordination. The nitrate ion interacts indirectly, through N—H⋯O hydrogen bonds. In the crystal, adjacent cations and anions are connected by O—H⋯O hydrogen bonds into a three-dimensional network motif. The crystal studied was a non-merohedral twin with two minor components of 15.1 (1) and 8.0 (1)%.The water-coordinated Zn DOI: 10.1107/S1600536810042509/nk2064Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The LaIII ions are linked by bridging carboxylate groups and chloride anions into a chain along [100]. An intramolecular O—H⋯O hydrogen bond is formed in the 5-bromosalicylate ligand. π–π interactions between the pyridine and benzene rings and between the benzene rings are observed [centroid–centroid distances = 3.794 (5) and 3.804 (4) Å].In the title complex, [La(C Cl2(C12H8N2)] = 0.034wR(F2) = 0.125S = 1.003598 reflections254 parametersH-atom parameters constrainedmax = 1.20 e Å−3Δρmin = −1.34 e Å−3ΔρAPEX2  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536812025500/hy2550Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Four O-coordinated cationic (dimethylphosphoryl)methanaminium (dpmaH+) ligands occupy the equatorial coordination sites, whereas the chloride ligands occupy axial positions of the roughly octahedral coordination polyhedron of the cobalt metal center. Intramolecular hydrogen bonds between the aminium groups and the O atom of the phosphoryl groups and additional hydrogen bonds between the aminium groups and the chloride ligands are present. Furthermore, four of the six H atoms not involved in intramolecular bonding of each cobalt(II) tetracation form weak hydrogen bonds to four adjacent tetrachloridocobaltate(II) counter-anions. By these intermolecular hydrogen bonds, one-dimensional polymeric strands are formed along the b-axis direction. The hydrogen bonding is analyzed using the graph-set method and the structural similarity with dpmaHCl is discussed.The asymmetric unit of the title structure, [CoCl DOI: Click here for additional data file.10.1107/S1600536813008945/sj5313Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The CuII atom is located on an inversion centre and has an overall octahedral coordination environment. Two N and two O atoms from (pyzdc)2− ligands define the equatorial plane and two water molecules are in axial positions, resulting in a typical tetragonally Jahn–Teller-distorted environment. Extensive classical O—H⋯O, O—H⋯N and N—H⋯O and non-classical C—H⋯O hydrogen bonds, as well as π–π stacking interactions between aromatic rings of the cations [centroid–centroid distance = 3.58 (9) Å], lead to the formation of a three-dimensional supramolecular structure.The title compound, (C DOI: 10.1107/S1600536811008981/wm2462Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The benzimidazole rings in adjacent molecules are parallel, with an average interplanar distance of 3.486 Å. The I atom is disordered over two sites in a 0.85 (5):0.15 (5) ratio.In the title complex, [CdI DOI: 10.1107/S1600536811029321/wm2505Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The MnII ion exhibits a centrosymmetric octahedral geometry involving two carboxylate O atoms of two different pztmb ligands and four O atoms of four coordinated water molecules. The packing shows a three-dimensional supramolecular network via O—H⋯O and O—H⋯N hydrogen bonds and π–π stacking interactions [centroid–centroid distances = 3.884 (8) and 4.034 (8) Å] between the benzene ring of one pztmb anion and the pyrazine ring of an adjacent anion.The title compound, [Mn(C DOI: 10.1107/S160053681004506X/pk2282Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The full dimer is generated by an inversion center. In the dimer, the two IrIII atoms and two bridging Cl atoms form a perfectly planar ring. The two IrIII atoms and the two terminal Cl atoms also form a rigorous plane that is orthogonal [89.48 (3)°] to the Ir2Cl2 ring. The plane of the cyclopentadienyl ligand forms a dihedral angle of 54.06 (7)° with respect to the Ir2Cl2 ring.The asymmetric unit of the title complex, [Ir For the al. 2011.2Cl4(C12H19)2] = 0.019wR(F2) = 0.040S = 1.064440 reflections141 parametersH-atom parameters constrainedmax = 1.02 e Å−3Δρmin = −1.18 e Å−3ΔρCrysAlis PRO  used to solve structure: SHELXS97  I, global. DOI: Click here for additional data file.10.1107/S1600536813005072/pk2466Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813005072/pk2466Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The metal atoms are surrounded by eight O atoms in a square-antiprismatic environment. There are two independent formula units in the asymmetric unit. The S atoms of two of the four DMSO molecules are disordered in a 0.926 (3):0.074 (3) ratio.The polymeric title compound, [Ce(C DOI: 10.1107/S1600536811015947/hg5026Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


For one zinc atom, the acetate group is monodentate, and the geometry is a distorted ZnN4O trigonal bipyramid; for the other, the acetate group is anisobidentate and the geometry is a distorted ZnN4O2 octahedron. The two macrocycle–zinc acetate units are bridged through a diperchloratosodium unit. In the crystal, the complex cations and uncoordinated perchlorate anions are linked by N—H⋯O hydrogen bonds.In the title salt, [NaZn DOI: 10.1107/S1600536811045363/xu5351Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The carboxylate O atom of one of them also bridges to another Li+ ion, while the second O atom of this group is bonded to another Li+ ion. Two symmetry-independent water O atoms participate also in the bridging system, which gives rise to a polymeric three-dimensional framework. Both Li+ ions show distorted trigonal–bipyramidal LiNO4 coordination geometries, with the N atom in an axial site in both cases. The packing is consolidated by O—H⋯O hydrogen bonds, which occur between water molecules as donors and carboxylate O atoms as acceptors.In the title coordination polymer, [Li DOI: 10.1107/S1600536810050762/hb5759Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Si2Cp centroid–titanium distance is 2.0763 (10) Å and the SiCp centroid–titanium distance is 2.0793 (10) Å. The angle subtended at the Ti atom by the centroids of both cyclopentadienyl rings is 131.22 (4)° and the Cl—Ti—Cl angle is 94.14 (2)°.In the title compound, [Ti(C DOI: 10.1107/S1600536811046228/fj2469Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The cyclopentadienyl (Cp) rings of the ferrocene unit have a slightly staggered conformation skewed from an ideal eclipsed conformation by an angle of 3.5 (6)°. The interplanar angle between the Cp and the imidazole ring is 67.94 (2)°.The structure of the title compound, [Fe(C DOI: Click here for additional data file.10.1107/S1600536812045400/hg5258Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The SbS3 and SbS5 units are connected with each other through corner- and edge-sharing, forming a Sb4S10 layer in the ab plane. The GeS4 tetrahedra further bridge two neighbouring Sb4S10 layers, forming a three-dimensional ∞3[Sb4GeS10]4− network. The Ba2+ cation (..2) is located between two Sb4S10 layers and is coordinated by ten S atoms with Ba—S bond lengths in the range 3.2505 (9)–3.4121 (2) Å.The title quaternary compound, dibarium tetraantimony germanium decasulfide, Ba DOI: Click here for additional data file.10.1107/S1600536813007988/jj2163Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


One of the two independent PCA ligands bridges two ZnII cations, forming a zigzag polymeric chain running along the c axis. In the crystal, the NO3− anions link to the chain via O—H⋯O and N—H⋯O hydrogen bonding. Weak intermolecular C—H⋯O interactions also occur.In the crystal of the title compound, {[Zn(C DOI: 10.1107/S1600536812016017/xu5508Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The crystal structure was determined to prove that the thermolysis product of noradamantene dimer is favored by stretch release due to ring opening of the four-membered ring. The bond length of the quaternary C atoms of the starting material was calculated as 1.6 Å, enlarged in comparison to other single bonds. After the rearrangement, the stretch release of the above carbons leads to an increase of the distance between them (2.824 Å) with respect to the crystallographic data.The title compound, C DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The two heterocyclic rings of the 5-(2-pyridin-2-yl)pyrazine-2-carbonitrile ligand are almost coplanar [dihedral angle = 5.63 (8)°], and the two chelating ligands are in an anti relationship. The mononuclear units are interconnected along [010] through C—H⋯O(nitrate) and C—H⋯N(cyano) interactions, forming an infinite chain. The mononuclear units are stacked along the a axis and interconnected via intermolecular π–π stacking interactions between adjacent pyridine and pyrazine rings [centroid–centroid distances = 3.984 (2) and 3.595 (3) Å], thus forming a three-dimensional supramolecular structure.In the mononuclear title complex, [Ag(NO DOI: 10.1107/S1600536811049221/zq2135Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Thus, the asymmetric unit comprises one half-molecule. The planarity of the stannacyclopentadiene ring is illustrated by the dihedral angle of 0.3 (1)°, defined by the C4 and C—Sn—C planes. To avoid steric repulsion, the two stannole rings are oriented in an anti fashion through the Sn—Sn bond. These structural features are similar to those of other bistannoles.The title compound, [Sn DOI: 10.1107/S1600536811022951/kp2332Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811022951/kp2332Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


There are two types of Tl+ ions in the complex, with coordination numbers of eight and seven and with stereochemically active and inactive lone-pair electrons, respectively. In the crystal, the doubly deprotonated ligands form two-dimensional hydrogen-bonded layers through O—H⋯O hydrogen bonds. The NH group is involved in a trifurcated intramolecular hydrogen bond. Coordination of the phosphonate ligands to the Tl+ ions creates a three-dimensional structure.The title compound, [Tl DOI: 10.1107/S1600536809031006/su2128Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The molecular structure is composed of a dinuclear unit forming a central five-membered planar Be—O—Be—O—N ring . Both Be atoms show the unusual coordination number of three, with one Be atom coordinated by three O atoms and the other by two O atoms and one N atom, both in distorted trigonal–planar environments. The Be—O distances are in the range 1.493 (5)–1.600 (5) Å and the Be—N distance is 1.741 (5) Å.The title compound, [Be DOI: Click here for additional data file.10.1107/S1600536812045655/wm2695Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


II ion in the title complex, [MnBr2(C18H12N6)], is five-coordinated in a distorted square-pyramidal geometry by three N atoms of the tridentate 2,4,6-tri-2-pyridyl-1,3,5-triazine (tptz) ligand and two bromide anions. In the crystal, the pyridyl rings coordinated to the Mn atom are inclined slightly to their carrier triazine ring [dihedral angles = 8.0 (3) and 7.5 (3)°], whereas the uncoordinated pyridyl ring is located approximately parallel to the triazine ring [dihedral angle = 3.7 (3)°]. The complexes are stacked in columns along the a axis and linked by intermolecular C—H⋯Br hydrogen bonds, forming chains. In the column, intermolecular π–π interactions between the six-membered rings are present, the shortest centroid–centroid distance being 3.750 (4) Å.The Mn DOI: 10.1107/S1600536811045211/zq2132Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Zn⋯Zn distance is 3.076 (1) Å. Each Zn atom is five-coordinated by two O and two N atoms from two Schiff base ligands, and by one azide N atom, forming a square-pyramidal geometry.The title compound, [Zn DOI: 10.1107/S1600536811043455/qm2038Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


This fragment is located about an inversion center, and each SnIV atom is linked to two other hydrogenphenylphosphonate anions, giving a layered structure parallel to (010). The coordination geometry for the SnIV atoms is close to octahedral. The layers are connected via O—H⋯O hydrogen bonds, generating a three-dimensional network. One butyl group is disordered over two sets of sites, with occupancies of 0.49 (2) and 0.51 (2).In the title compound, [Sn IV compounds, see: Evans & Karpel 4(C6H6PO3)4] = 0.053wR(F2) = 0.142S = 1.0510394 reflections570 parameters4 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 2.73 e Å−3Δρmin = −1.93 e Å−3ΔρCOLLECT  used to solve structure: SIR97  I, New_Global_Publ_Block. DOI: Click here for additional data file.10.1107/S1600536812040834/bh2452Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The crystal packing is stabilized by O—H⋯O and C—H⋯O hydrogen bonds.In the title compound, [Cu(C DOI: 10.1107/S1600536811056145/hy2502Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The zinc cation is coordinated by six N atoms of four pyrimidine ligands and two N-bonded selenocyanate anions in mutually trans orientations within a slightly distorted octahedral coordination environment. The Zn atoms are μ-1,3-bridged via the pyrimidine ligands into a polymeric layer extending parallel to (100).The asymmetric unit of the title compound, [Zn(NCSe) DOI: 10.1107/S1600536811023129/wm2498Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Single crystals of the title complex were isolated from an aqueous–ethanolic Ni2+–en–SiF6               2− system. The Ni(II) and Si atoms are each located on a special position with site symmetry 3.2. The Ni(II) atom coordination sphere is octahedrally deformed, being coordinated by three chelating diamine ligands with an Ni—N distance of 2.1233 (18) Å. The crystal packing of the respective ions corresponds to the structure type of the hexagonal form of BN. Beside ionic forces, the packing is governed by N—H⋯F hydrogen bonds, which lead to the formation of hydrophobic channels running along the 63 screw axis. The structure was refined as an inversion twin [0.49 (3): 0.51 (3)].The ionic title complex, [Ni(C DOI: 10.1107/S1600536810041553/su2212Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The anions are incorporated into the chains through cyclic R43(10) interactions involving amide and piperidinium N—H⋯Ocarboxyl hydrogen bonds which, together with inter-anion carboxylic acid O—H⋯Ocarboxyl hydrogen bonds, give a two-dimensional layered structure extending along (011).In the title racemic salt, C DOI: 10.1107/S1600536812004710/nk2139Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812004710/nk2139Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


A significant Jahn–Teller distortion is observed with two axial Cu—O distances significantly longer than those in the equatorial CuO2N2 plane. In the crystal, π–π stacking interactions, with centroid–centroid distances of 3.547 (3) or 3.728 (3) Å between the phenanthroline rings, form layers parallel to (011).In the title compound, [Cu(C DOI: 10.1107/S1600536811018162/sj5144Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The biphenyl ligand acts as a linear bidentate ligand, connecting the metal atoms into an infinite chain parallel to [101]. In the biphenyl ligand, the two benzene rings make a dihedral angle of 33.19 (7)°.In the title compound, [CuCl DOI: 10.1107/S1600536811011421/fj2406Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the aromatic rings in the ligand is 0.70 (9)°. In the polynitrile 1,1,3,3-tetracyano-2-ethoxypropenide (tcnoet) anion, the C—N, C—C and C—O bond lengths indicate extensive electronic delocalization. An alternative description for the metal-ion geometry is an extremely distorted CuN6 octahedron, with two N-bonded tcnoet anions completing the coordination. In the crystal, the components are linked by N—H⋯N and C—H⋯N interactions.In the title compound, [Cu(C DOI: 10.1107/S1600536810029752/hb5555Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Cu(II) atom is in a distorted trigonal–planar CuN2P coordination. Bond angles around the amino N atom suggest sp               2 hybridization. Several intramolecular C—H⋯N interactions are present involving tetrazolate N atoms. In the binuclear centrosymmetric crystal structure of the title compound, [Cu DOI: 10.1107/S1600536811022719/hp2003Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal structure, the C atom of the methyl group of the MαNP acid lies in the extended plane of the naphthyl ring system  and a weak intramolecular C—H⋯O hydrogen bond links the naphthyl ring system and the methoxy group. These structural properties are similar to those of most MαNP acid esters.The relative configuration of the alcohol component in the title ester, C DOI: 10.1107/S160053681002101X/zs2041Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


There are two crystallographically independent Na+ cations in the asymmetric unit. One Na+ cation exhibits a distorted square-pyramidal geometry defined by five O atoms from four citrate ligands. The other Na+ cation is surrounded by six O atoms from five citrate ligands in a distorted octahedral geometry. The Na+ cations are bridged by citrate carboxylate groups, forming a layer parallel to (100). The layers are further assembled into a three-dimensional network with the [Zn(citrate)2]4− building units as ‘pillars’; O—H⋯O hydrogen bonds also stabilize the structure.In the title compound, [Na DOI: 10.1107/S1600536813030067/hy2639Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The NiII atoms are bridged by the 2,4′-oxydibenzoate anions, resulting in the formation of helical chains parallel to [010] with a repeating unit of 15.039 (2) Å.In the title compound, [Ni(C DOI: 10.1107/S1600536810046210/wm2416Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ethylenediamminium cations are linked to the anions via N—H⋯O hydrogen bonds. The asymmetric unit contains one-half of the compound, the other half being related to the first by an inversion centre. The crystal structure presents alternate stacking of the inorganic and organic layers along the crystallographic b axis. The structure cohesion and stability is further assured by O(water)—H⋯O hydrogen bonds.The crystal structure of the title compound, [NH DOI: 10.1107/S1600536811030005/go2021Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the complex cation, the MgII atom is coordinated by two N atoms from a 2,2′-bipyridine ligand and four water O atoms in a distorted MgN2O4 octahedral geometry. The MgII atom is located on a twofold rotation axis and thus a cation exhibits C               2 molecular symmetry. The 2,2′-bipyridine ligands exhibit nearly perfect planarity (r.m.s. deviations = 0.0061 Å). In the crystal, O—H⋯O and C—H⋯O hydrogen bonds link the cations and anions into a three-dimensional supramolecular network.The title compound, [Mg(C DOI: 10.1107/S1600536810047690/kp2287Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


V atom in the title compound, [V(C7H6ClN2O)(C16H11ClN2O3)O]·CH3OH, is N,O-chelated by the benzoylhydrazidate anion and O,N,O′-chelated by the (benzoylhydrazinylidene)propionate dianion. The distorted octahedral trans-N2O4 coordination geometry is completed by the vanadyl O atom. The mononuclear and solvent molecules are linked by N—H⋯O and O—H⋯O hydrogen bonds about a center of inversion, generating a dimer.The V DOI: 10.1107/S1600536810045678/hg2740Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The H2btec2− anion exhibits two different coordination modes, viz. μ2 and μ4. Both of the H2btec2− anions are located on special positions (inversion centers). The μ4-anion bridges adjacent MnII atoms, forming a chain along the a axis. Adjacent chains are further bridged by μ2-anions, resulting in a two-dimensional layered polymer parallel to (011). In the crystal, extensive carboxy–carboxylate O—H⋯O and water–carboxylate O—H⋯O interactions lead to the formation of a three-dimensional supramolecular network.In the title compound, [Mn DOI: 10.1107/S1600536812035441/zq2172Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The structure of this hybrid compound consists of CdO6, CdO5 and PO4 polyhedra arranged so as to build an anionic inorganic layer, namely [Cd2(HPO4)3]2−, parallel to the ab plane. The edge-sharing CdO6 octahedra form infinite chains running along the a axis and are linked by CdO5 and PO4 polyhedra. The ethylenediammonium cation and the water molecule are located between two adjacent inorganic layers and ensure the cohesion of the structure via N—H⋯O and O—H⋯O hydrogen bonds.The title compound, {(C DOI: 10.1107/S1600536810038729/fk2024Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


J. Am.  DOI: 10.1107/S1600536811043820/bh2385Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the 2-aminopyrazine ligand is equally disordered over two positions about an inversion center, and bridges the HgII cations with pyrazine N atoms to form a polymeric chain running along the c axis. In the polymeric chain, the amino groups link to the coordinated I− anions via intermolecular N—H⋯I hydrogen bonds.In the crystal of the title polymeric compound, [HgI DOI: 10.1107/S1600536812006149/xu5467Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The water O atom is invoved in three different hydrogen-bonding interactions, as donor to the acetate O atom and to the the ligand O atom and as acceptor to a ligand N atom.In the binuclear centrosymmetric title compound, [Cu DOI: 10.1107/S1600536812023070/gw2117Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The CoII ion has site symmetry 2 and one of the 4,4′-bpy ligands is generated by twofold symmetry [two N atoms and two C atoms lie on the rotation axis and the dihedral angle between the pyridine rings is 45.66 (5)°]. The other 4,4′-bpy ligand is generated by a crystallographic inversion center. The CoII ion exhibits a slightly distorted octahedral coordination geometry defined by two O atoms of two coordinating water molecules and four N atoms from four bridging 4,4′-bpy ligands. The structure is consolidated by O—H⋯O, C—H⋯O and C—H⋯N hydrogen bonds.The title compound, {[Co(C DOI: Click here for additional data file.10.1107/S1600536813005230/hb7035Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The aromatic rings of the L ligand form a dihedral angle of 2.1 (1)°.In the title compound, [Sn(C DOI: Click here for additional data file.10.1107/S1600536812047216/cv5361Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The chloride and carbonyl ligands show positional disorder, and the RhI atom lies on a center of inversion. The effective cone angle ΘE for the title compound is 169.0 (3)°. There are no significant intermolecular interactions.In the title compound, [RhCl(C DOI: 10.1107/S1600536811045715/pv2465Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the rings is 12.4 (1)°. The crystal structure is stabilized by intermolecular N—H⋯O hydrogen bonds, which link the molecules into C(4) chains running along the c-axis direction.In the title compound, C DOI: 10.1107/S1600536811040864/bt5661Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811040864/bt5661Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CrC4P2 coordination geometry is distorted octahedral, with a P—Cr—P bite angle of 99.22 (4)°.The title compound, [Cr(C DOI: 10.1107/S1600536812000219/yk2038Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


A half-occupied H atom attached to a pyridinium cation forms an N—H⋯N hydrogen bond with a centrosymmetrically-related pyridine unit. Four pyrazine-2-carbonitrile molecules crystallize per complex anion. In the crystal, π–π stacking interactions are present .In the title compound, (C DOI: Click here for additional data file.10.1107/S1600536813010362/hy2622Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813010362/hy2622Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The non-aromatic pyrrolidine ring in each independent molecule adopts a half-chair conformation; the ring puckering parameters are θ = 0.407 (3) Å and ϕ = 270.5 (4)°, and the pseudo-rotation parameters are ρ = 72.5 (3)° and τ = 42.2 (2)° for an N—C bond of molecule A, and the corresponding values are 0.415 (3) Å, 271.6 (4)°, 73.6 (3)° and 42.6 (2)° for molecule B. The dihedral angles between the central fused-ring system and the substituted chlorophenyl and methylphenyl rings are 66.35 and 45.59°, respectively, for molecule A, and 64.51 and 41.89° for molecule B. The geometry of all four intramolecular C—H⋯π interactions are of type III. π–π interactions involving the centroids of symmetry-related pyrrole rings of molecule B are 4.390 Å, contributing further to the stability of the molecule.The title compound, C DOI: 10.1107/S1600536813019168/gg2114Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813019168/gg2114Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


No classic hydrogen bonds or intermolecular interactions are observed in the crystal.In the title compound, [FeSn(C DOI: 10.1107/S1600536810022488/zq2044Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The pyridine and the pyrrole rings are nearly perpendicular to each other, making a dihedral angle of 84.83 (7)°.In the title compound, [Zn(C DOI: 10.1107/S1600536810028503/dn2587Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The title complex, [CuBr(C DOI: 10.1107/S1600536811001814/hg2780Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The pyridine rings are aligned nearly perpendicularly to each other [dihedral angle = 82.28 (13)°]. The phenoxy rings form dihedral angles of 12.37 (12) and 12.16 (14)° with the phenylene ring. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds link the ions into a three-dimensional network.In the title compound, [Co(C DOI: 10.1107/S1600536813020953/rz5078Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Intermolecular C—H⋯π interactions stabilize the crystal structure. The crystal studied was found to be a racemic twin. The dihedral angles between the substituted phenyl ring and the benzo[c]phenanthridine system are 87.13 (5) and 79.25 (5)° in the two molecules.There are two independent molecules in the asymmetric unit of the title compound, C DOI: 10.1107/S1600536810043485/hg2734Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the bromoacetyl residue, the Br and O atoms are co-planar [the O—C—C—Br torsion angle is 5.7 (4)°] and are syn to each other. Helical supramolecular chains along the b axis are formed in the crystal structure mediated by C—H⋯O contacts; the carbonyl-O atom is bifurcated. The chains are linked into layers by C—H⋯π(unsubstituted ring) interactions that stack along the a-axis direction.In the title molecule, [Fe(C DOI: 10.1107/S1600536811050434/hg5144Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The BAIM cation possesses m symmetry, with the central imidazole ring and four C atoms of each terminal adamantyl group located on a mirror plane. The Fe and two Cl atoms of the TCF anion are also located on the mirror plane. The cyclohexane rings of the adamantyl groups adopt normal chair conformations.The crystal structure of the title compound, (C DOI: 10.1107/S1600536810043989/xu5064Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The mononuclear units are interconnected through π–π interactions [centroid–centroid distances = 3.801 (2) and 3.979 (3) Å] and the hexafluoridophosphate anions are embedded within the interstices. C N⋯π interactions [N⋯centroid = 3.519 (2) Å] and C—H.⋯N hydrogen-bonding interactions also occur.In the mononuclear title complex, [Ag(C DOI: 10.1107/S1600536811051403/bt5734Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II atom in the title complex, [Cd(C12H27O3SSi)2(C3H4N2)], is penta-coordinated by two O and two S atoms from the O,S-chelating silanethiolate residue and one pyrazole N atom in a distorted geometry that is slightly closer to trigonal–bipyramidal than to square-based pyramidal. The pyrazole ligand is stabilized within the complex by an intramolecular N—H⋯O hydrogen bond. One of the tert-butyl groups is disordered over two orientations with occupancy ratio of 0.534 (6):0.466 (6).The Cd DOI: Click here for additional data file.10.1107/S1600536812047186/vn2060Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In each, the 1,3-dioxane ring adopts an envelope conformation with the dimethyl-substituted C atom forming the flap. The crystal structure is stabilized by weak intermolecular C—H⋯O hydrogen bonds.The asymmetric unit of the title compound, C DOI: 10.1107/S1600536811002285/lh5196Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The three benzene rings in one phosphane ligand make dihedral angles of 53.50 (9), 75.51 (10) and 80.63 (10)° with each other, while in the other ligand these angles are 51.92 (10), 78.56 (11) and 86.80 (10)°. C—H⋯O and C—H⋯F interactions link the molecules into a three-dimensional network. Each of the F atoms is disordered over two positions with refined occupancies of 0.944 (3):0.056 (3), 0.702 (4):0.298 (4), 0.829 (4):0.171 (4), 0.567 (4):0.433 (4), 0.545 (4):0.455 (4) and 0.920 (4):0.080 (4).In the title compound, [Cr(C DOI: 10.1107/S1600536811045284/is2790Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Ni2+ ion exhibits a distorted octahedral coordination environment defined by four N atoms from four bimb ligands in the equatorial plane and two chloride ions in axial positions. The bridging coordination mode of the bimb ligands leads to the formation of interpenetrating square Ni4(bimb)4 units that are arranged parallel to (001). The separation between the Ni atoms in these units is 13.740 (3) Å.The asymmetric unit of the title compound, [NiCl DOI: 10.1107/S1600536811044448/wm2543Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Cd2+ cation is ligated by one O atom and two N atoms of the tridentate ligand and two bromide anions, forming a Br2CdN2O polyhedron with a distorted trigonal–bipyramidal coordination geometry. In the crystal, non-classical C—H⋯Br hydrogen bonds are observed. In addition, π–π stacking interactions [centroid–centroid distance = 3.7455 (19) Å] contribute to the stabilization of the crystal structure.The title compound, [CdBr DOI: 10.1107/S1600536812023185/vm2176Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Bull. S DOI: 10.1107/S1600536814000361/pj2008Isup2.hklStructure factors: contains datablock(s) I. DOI: CCDC reference:  crystallographic information; 3D view; checkCIF reportAdditional supporting information:


The two K+ ions lie on crystallographic inversion centers. The Eu—O bond distances are in the range 2.294 (5)–2.413 (5) Å. The crystal used was a non-merohedral twin, the ratio of the twin domains being 0.5236 (5):0.4764 (5).In the crystal structure of the title complex, K[Eu(C DOI: 10.1107/S1600536810021458/lh5047Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, weak intermolecular C—H⋯O hydrogen bonds link the complex cations and perchlorate anions.In the title compound, [Mn(C DOI: 10.1107/S1600536811023531/hy2441Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


This inorganic–organic hybrid compound exhibits a layered structure in which isolated CoCl4 inorganic layers alternate with bilayers of phenylethylammonium cations. Although the inorganic anion is zero-dimensional, the layered structure is stabilized via N—H⋯Cl hydrogen bonds. The CoCl4 tetrahedra connect to the cations through N—H⋯Cl hydrogen bonds, building a two-dimensional network extending parallel to (010).Crystals of the title compound, (C DOI: 10.1107/S1600536811011603/si2347Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The P—Pt—N angle is 89.80 (5)° and the corresponding angle between the Cl ions is 87.92 (2)°.The title compound, [PtCl DOI: 10.1107/S1600536811040098/go2029Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The three CO ligands have C—Mn—C angles in the range 89.44 (10)–92.31 (9)°, while the three N atoms of the tripodal ligand form significantly smaller N—Mn—N angles of 82.76 (2)–85.51 (6)°. The three N atoms of the tripodal ligand and the three carbonyl ligands coordinate facially. In the crystal, the trifluoromethanesulfonate counter anion is connected by a medium-strength O—H⋯O hydrogen bond to the hydroxyl group of the manganese complex.In the title compound, [Mn(C DOI: 10.1107/S1600536812035891/pk2428Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The ZnII atoms are bridged by terephthalate ligands, generating an infinite zigzag chain along [101].In the title coordination polymer, [Zn(C DOI: 10.1107/S1600536810022385/is2548Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The unique ZnII ion is coordinated by one triazole N atom, one pyridine N atom and two Br atoms in a slightly distorted tetrahedral coordination environment. Symmetry-related ZnII ions are connected by bridging L ligands into chains parallel to [001] in which the Zn⋯Zn separation is 8.643 (7) Å. In the crystal structure, weak intermolecular C—H⋯Br hydrogen bonds link the chains into a three-dimensional network.The title complex, [ZnBr DOI: 10.1107/S1600536810026188/lh5068Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The anion exhibits a distorted tetrahedral arrangement about the HgII atom. In the crystal, the cations and anions are linked by N—H⋯Br hydrogen-bonding interactions along [010]. Cation–cation π–π stacking and Br⋯Br intermolecular interactions are absent.The asymmetric unit of the title compound, (C DOI: Click here for additional data file.10.1107/S1600536812046788/bx2429Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, complex molecules are linked via Cu⋯Cl interactions [2.9933 (11) Å], forming a two-dimensional network parallel to the bc plane. They are also Cl⋯Cl interactions [3.3709 (14) Å] present, which consolidate the two-dimensional network structure.In the title compound, [Cu(C DOI: 10.1107/S1600536812025044/su2417Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the so far unknown dianion, the symmetry-related TaV atoms are octahedrally coordinated by five F atoms and a bridging O atom, the latter being located on an inversion centre. The two pyridine rings in the cation make a dihedral angle of 22.8 (4)°. The cations and dianions are arranged in layers parallel to (100) and are connected through N—H⋯F and C—H⋯F hydrogen-bonding interactions into a three-dimensional structure.In the title compound, (C DOI: 10.1107/S1600536812014742/wm2602Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The geometry of the resulting CuN2O4 coordination can be described as distorted octahedral. In the crystal, there are several intermolecular O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds. An intramolecular N—H⋯O hydrogen bond occurs in one of the cations. Considerable π–π stacking interactions are also observed between the aromatic rings of the cations, with centroid–centroid distances of 3.4567 (13), 3.5342 (14), 3.6941 (14) and 3.4568 (13) Å. These non-covalent interactions connect the components, forming a three-dimensional supramolecular structure.The title compound, (C DOI: 10.1107/S160053681100674X/vm2078Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The perchlorate ions are all disordered over two positions in a 1:1 ratio. The cation interacts weakly with the anion by N—H⋯O hydrogen bonds, generating a three-dimensional network.In the title salt, [Zn DOI: 10.1107/S1600536810038730/hg2718Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


These CaO7N polyhedra are connected via the anions into a three-dimensional network. The anions are additionally linked by N—H⋯O and O—H⋯O hydrogen bonding. In the title compound, [Ca(C DOI: 10.1107/S1600536810039000/nc2199Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Its structure is isotypic with K2V2O2(PO4)2. The framework is built up from corner-sharing VO6 octahedra and AsO4 tetrahedra, creating an infinite [VAsO8]∞ chain running along the a- and c-axis directions. The K+ cations are located in hexagonal tunnels, which are delimited by the connection of the [VAsO8]∞ chains.The vanadium oxide arsenate with formula K DOI: 10.1107/S1600536812027183/ru2035Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The zinc(II) atoms are further connected via a μ3-hydroxido anion into trinuclear building blocks. The formula unit consists of three zinc cations, four selenocyanato anions, one μ3-hydroxido anion, four pyridazine molecules as well as one cyanido anion. The asymmetric unit contains half of a formula unit. One of the zinc atoms, two selenocyanato anions, two pyridazine ligands and the μ3-hydroxido anion are located on a crystallographic mirror plane, whereas the cyanido anion is located on a twofold rotation axis. Therefore, this anion is disordered due to symmetry. The cyanido anions connect the metal centres into polymeric zigzag chains propagating along the a axis.In the crystal structure of the title compound, [Zn DOI: 10.1107/S1600536810029107/bt5302Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The diprotonated piperazine ring adopts a chair conformation. In the crystal structure, the cations and anions are linked by intermolecular N—H⋯Cl hydrogen bonds into a chain along [001].In the title compound, (C DOI: 10.1107/S1600536810028631/bx2289Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The PMe3 ligand is coordinated in the basal position, roughly cis to the Fe—Fe bond. The Fe—Fe distance of 2.4970 (6) Å is relatively short compared to those (ca 2.53 Å) found in another monosubstituted diiron compound. A rigid planar dithiolate bridge is featured, with an angle of 2.78 (1)° between the Fe—Fe bond and the normal to the pyrazine-2,3-dithiolate plane.In the title compound, [Fe DOI: 10.1107/S1600536811046770/hy2484Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Te atom is coordinated by a 4-methylphenyl group and the Fe0 atoms in a distorted tetrahedral geometry. The average Te—Fe bond length is 2.574 (4) Å.In the anion of the title compound, (C DOI: Click here for additional data file.10.1107/S1600536813013056/im2431Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, C—H⋯N, C—H⋯O and C—H⋯S interactions link adjacent molecules into layers parallel to the ac plane. A weak intermolecular π–π interaction occurs between the aromatic rings with a centroid–centroid distance of 3.9412 (9) Å.In the title compound, [Cu(NCS) DOI: 10.1107/S1600536810050889/is2639Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536812035337/vn2048Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The (triphos)Pt moiety and the mesityl group are attached to the cyclooct-4-ene motif at the 1- and 8-position in a syn configuration. The (BF4)− anion and one of the dichloromethane solvate molecules each are disordered over two sets of sites.In the title ionic compound, [Pt(C II-alkyl compounds, see: Koh & Gagné (C34H33P3)](BF4)·2CH2Cl2                         = 0.022                           wR(F                           2) = 0.053                           S = 1.01                           10061 reflections655 parametersH atoms treated by a mixture of independent and constrained refinementmax = 0.85 e Å−3                        Δρmin = −0.69 e Å−3                        Δρ                                 APEX2  used to solve structure: XPREP  global, I. DOI: 10.1107/S1600536811023853/jh2297Isup2.cdx            Supplementary material file. DOI: 10.1107/S1600536811023853/jh2297Isup3.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The NiII atom exhibits a distorted octahedral N3O3 environment. O—H⋯O hydrogen bonding between coordinated water and carboxylate O atoms, as well as π–π stacking interactions [interplanar distances between phen rings = 3.293 (2) Å] lead to a supermolecular assembly.The title compound, [Ni(C DOI: 10.1107/S1600536811026055/pv2419Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, intermolecular O—H⋯O hydrogen bonds form a one-dimensional left-handed helical structureextending parallel to [001]. The water molecule of crystallization shows half-occupancy.In the title complex, [Cu(C DOI: 10.1107/S1600536811012049/hy2419Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The borohydride anions are situated on special positions with 4mm site symmetry and show rotational disorder around the fourfold axis.In the crystal structure of the title compound, C DOI: 10.1107/S1600536811029291/cv5120Isup2.cml            Supplementary material file. DOI: 10.1107/S1600536811029291/cv5120Isup2.rtv            Rietveld powder data: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials: interactive version of Fig. 1            Enhanced figure:


The four phenyl rings are tilted with respect to the cyclobutadienyl plane so that the C4Ph4 unit constitutes a four-bladed propeller. The phenyl ring of the phenyl-alkyne substituent is inclined to the cyclopentadienyl ring at an angle of 34.92 (18)°. The crystal structure is stabilized solely by C—H⋯π interactions which generate a three-dimensional network.In the title compound, [Co(C DOI: 10.1107/S1600536811016928/cv5089Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, dinuclear units with a Cd⋯Cd separation of 3.8208 (7) Å are observed. Each of these dinuclear units is bridged via 3,3′-bpda in a chelating/chelating and bridging fashion, generating a zigzag chain along the c axis. Neighboring chains are further packed via weak π–π interactions between interchain parallel 1,10-phen rings [centroid–centroid distance = 3.5197 (9) Å] into a three-dimensional supramolecular architecture.In the title compound, [Cd(C DOI: 10.1107/S1600536811042085/im2322Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Of the two water H atoms, one is engaged in an intramolecular hydrogen bond with a free oxygen of the dianion whereas the second is engaged in an intermolecular hydrogen bond, building a corrugated layer parallel to (100). These layers are further connected through π–π stacking interactions involving symmetry-related phenanthroline rings [centroid–centroid distance = 3.5599 (17) and 3.5617 (18) Å], building a three dimensionnal network. C—H⋯π interactions involving the phenanthroline ring system are also observed.In the centrosymmetric dinuclear title complex, [Cu DOI: 10.1107/S1600536811007938/dn2661Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordinating pyridine rings are oriented in an almost perpendicular fashion, making a dihedral angle of 83.7 (5)°. In the title compound, [ZnI DOI: Click here for additional data file.10.1107/S1600536813001736/lr2093Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


An intramolecular O—H⋯N hydrogen bond occurs in the benzohydrazidate ligand. Weak intermolecular C—H⋯O hydrogen bonding is present in the crystal.In the title complex, [V(C DOI: 10.1107/S1600536812032229/xu5587Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The pipemidic acid ligand acts a bidentate ligand and the single deprotonated 4,4′-oxydibenzoic acid acts as an anion. Classical N—H⋯O and O—H⋯O hydrogen bonds are present in the crystal structure.In the title compound, [Cu(C DOI: 10.1107/S1600536811006672/rk2260Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure features a three-dimensional hydrogen-bonding network based on a strong and distinctive pattern of O—H⋯O hydrogen-bonding interactions.In the centrosymmetric title molecule, [Mn DOI: 10.1107/S1600536811008063/pb2059Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit consists of one hep ligand and a CuBr unit. The Cu2+ ion is thereby coordinated by the N atom and the deprotonated hydroxy O atom in a distorted square-planar geometry that is completed by another O atom. The latter acts as bridging ligand towards the second, symmetry-equivalent, Cu atom, thus generating a centrosymmetric dimeric unit, with the inversion centre halfway between the Cu atoms. These units are linked via C—H⋯Br and C—H⋯O hydrogen bonds, leading to the formation of a hydrogen-bonded one-dimensional-polymeric chain along a..The title compound, [Cu DOI: 10.1107/S1600536811043637/fi2115Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II atom in the title complex, [Ni(C13H8BrNOS)(C18H15P)], is coordinated by the N, O and S atoms of the dianionic tridentate ligand, and its square-planar geometry is completed by a phosphane P atom. The dihedral angle between the aromatic rings in the 4-bromo-2-[(2-sulfidophenyl)iminomethyl]phenolate ligand is 2.01 (14)°. The most prominent feature of the packing is the presence of supramolecular chains aligned along the a axis, mediated by C—H⋯S interactions.The Ni DOI: 10.1107/S1600536811008907/hb5813Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The range of Sr—O bond lengths is 2.4822 (13)–2.8113 (13) Å. C—H⋯O and O—H⋯O hydrogen-bonding interactions stabilize the molecules in the form of a two-dimensional polymeric network parallel to (001). One of the nitro groups is disordered over three sets of sites with the occupancy ratio of 0.46:0.32:0.22.The title compound, [Sr(C DOI: 10.1107/S1600536811033769/dn2710Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Six carboxylate groups of six 5-(carboxylatomethoxy)benzene-1,3-dicarboxylate anions (OABDC3−) join three MnII ions into a trinuclear centrosymmetric [Mn3(μ2-COO)6] unit with one Mn site situated on a centre of inversion. The latter MnII ion exhibits a distorted MnO6 coordination, whereas the other MnII ion has a trigonal–bipyramidal MnN2O3 coordination environment resulting from three carboxylate O atoms and the two N atoms of the bipyridine ligand. Adjacent units are linked to each other by OABDC3− ligands into a layer parallel to (010). Within the layer, O—H⋯O hydrogen-bonding interactions involving the uncoordinated and half-occupied water molecule and the free carboxylate O atoms are observed. The layers stack along [010], constructing a three-dimensional structure through π–π interactions between adjacent pyridine rings, with a centroid–centroid distance of 3.473 (5) Å.The title compound, {[Mn DOI: 10.1107/S1600536811002819/wm2447Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The distance between the CuI atoms within the dinuclear unit is 2.6723 (11) Å.In the centrosymmetric dinuclear title complex, [Cu DOI: 10.1107/S1600536812020843/kp2406Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The resulting compound is the salt of the 2,6-bis(2-methoxyphenyl)pyridinium cation and 0.5 equivalents of a hexabromidodicuprate(II) dianion. Both methoxy groups of the cationic pyridinium moiety are directed towards the N atom of the pyridine ring as a result of intramolecular N—H⋯O hydrogen bonds. The centrosymmetric hexabromidodicuprate dianion possesses a distorted tetrahedral geometry at the copper ion. The Cu—Br bond lengths are 2.3385 (7) and 2.3304 (7) Å for the terminal bromides, whereas the bond length between the Cu atom and two bridging bromides is slightly longer [2.4451 (6) Å].The title salt, (C DOI: 10.1107/S1600536811003588/vn2002Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The K atoms occupy the The title compound, KSn DOI: 10.1107/S1600536811035604/fi2111Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Co2+ cations are connected by bridging formate anions into a three-dimensional coordination network in which the K+ cations are embedded. The asymmetric unit consits of one Co2+ cation located on a center of inversion, one K+ cation located on a twofold axis and two crystallographically independent formato anions, of which one is located on a twofold axis and the other occupies a general position.In the crystal structure of the title compound, poly[tri-μ-formato-cobalt(II)potassium], [CoK(CHO DOI: 10.1107/S1600536811008737/kj2172Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536811045624/bt5698Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811045624/bt5698Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The layers are constituted of large Al6As6O36 rings made up from six AlO4 and AsO4 tetrahedra in which two sodium cations are situated, the third sodium cation being located in the interlayer space. The structural relationships between the title compound and Na3Fe(PO4)2, NaAlCo(PO4)2 and Al5Co3(PO4)8 are discussed.The structure of the title compound trisodium aluminium bis(arsenate), Na DOI: Click here for additional data file.10.1107/S1600536813002213/vn2065Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The crystal packing is dominated by intermolecular C—H⋯F hydrogen bonds, C—F⋯π interactions between the pentafluorobenzene groups [F⋯centroid distances = 3.882 (2) and 3.884 (2) Å] and π–π interactions between the pentafluorobenzene and cyclopentadienyl rings [centroid–centroid distance = 3.741 (1) Å].The molecular structure of the title compound, [Fe(C DOI: 10.1107/S1600536810026772/hy2327Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, adjacent molecules are linked by intermolecular O—H⋯O interactions, generating a helical hydrogen-bonded chain running along the b axis.The five-coordinate Sn atom in the title compound, [Sn(C DOI: 10.1107/S1600536810033623/bt5330Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The plane is extended by the two I atoms, each having a deviation of 1.0 (6) Å [C—C—C—I torsion angle = 178.9 (4)°]. The central C—C bond connecting the two quaternary carbons seems enlarged [1.593 (9) Å] in comparison to the corresponding bond in [2]diadamantane [1.554 (3) Å]. This is attributed to the presence of the electronegative I atoms, which affect inductively the C atoms of the four-C-atom plane, making the central C—C bond weaker.The title compound, C DOI: 10.1107/S1600536812026797/zj2079Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812026797/zj2079Isup3.cdxSupplementary material file. DOI: 10.1107/S1600536812026797/zj2079Isup4.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


These ligands bridge the NiII complex units, forming chains extending along the [110] and [In the title compound, {[Ni(C DOI: 10.1107/S1600536811007021/zs2096Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The VV atom is five-coordinated by the two O and one N donor atoms of the Schiff base ligand, one methanolate O atom and one oxido O atom, forming a distorted square-pyramidal geometry.The title oxidovanadium(V) complex, [V(C DOI: 10.1107/S1600536811040207/qm2033Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the two 1,10-phenanthroline-5,6-dione ligands is 58.4 (1)°. There is an intramolecular O—H⋯O hydrogen bond in the 3,5-dinitrosalicylate anion.In the cation of the title salt, [Ag(C DOI: 10.1107/S1600536811053785/vn2025Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The tridentate TDA chelates to the Ni cation in a facial configuration, and both chelating rings display the envelope conformations. The two thiazole rings of the DABT ligand are twisted with respect to each other, making a dihedral angle of 9.96 (9)°. Extensive O—H⋯O, N—H⋯O and weak C—H⋯O hydrogen bonding is present in the crystal structure.In the title compound, [Ni(C DOI: 10.1107/S1600536811015157/xu5191Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Cu(II) atom is coordinated by two phenanthroline (phen) molecules and one chloride anion in a distorted trigonal–bipyramidal geometry. The Cu(II) complex cations form layers through π–π stacking [interplanar distance = 3.481 (2) Å]. The dichloridocuprate(I) anions are located between the layers, forming a sandwich-like structure.The asymmetric unit of the title compound, [CuCl(C DOI: 10.1107/S1600536810054073/jh2249Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the CuII mononuclear dianions are linked by O—H⋯O hydrogen bonds into a tape along the a-axis direction. The tapes are linked through N—H⋯O hydrogen bonds between the dianion and the n-dodecylammonium cation, forming a two-dimensional network parallel to the ab plane.In the title compound, (C DOI: 10.1107/S1600536814001202/is5334Isup2.hklStructure factors: contains datablock(s) I. DOI: CCDC reference:  crystallographic information; 3D view; checkCIF reportAdditional supporting information:


The thiazolidine ring forms the dihedral angles of 29.22 (12) and 67.79 (10)° with the benzene and pyridine rings, respectively. The benzene and pyridine rings are tilted by dihedral angle of 67.18 (9)°. In the crystal, intermolecular C—H⋯O hydrogen bonds link the molecules into a two-dimensional network.The title compound, C DOI: 10.1107/S1600536811012177/kp2314Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the cation, the pyridinium rings attached to the central 1-azaniumyl-2-hydroxyethane fragment have an anti conformation, as indicated by the central C—C—C—C torsion angle of −166.5 (6)°, and they are inclined to one another by 63.5 (4)°. In the crystal, the cations and anions are linked through N—H⋯Cl and O—H⋯Cl hydrogen bonds. There are also π–π contacts [centroid–centroid distances = 3.671 (4) and 3.851 (4) Å] and a number of C—H⋯Cl interactions present, consolidating the formation of a three-dimensional supramolecular structure.The title compound, (C DOI: Click here for additional data file.10.1107/S160053681300425X/su2560Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The PbN2S4 coordination geometry approximates to a pentagonal bipyramid with one equatorial site vacant. The N atoms occupy the axial sites. One of the pyridine molecules is disordered over two sets of sites in a 0.907 (7):0.093 (7) ratio and one of the tert-butyl groups is disordered over two sets of sites in a 0.534 (6):0.466 (6) ratio. An intramolecular C—H⋯O interaction occurs in one of the ligands. In the crystal, pairs of short Pb⋯S contacts [3.4018 (11) Å] generate a centrosymmetric dimeric assembly with the distant S atom lying in the region of the vacant coordination site of the metal atom. No directional packing interactions occur.In the title compound, [Pb(C For the preparation of the ligand, see: Li & Xie 1997. For van20H26O2PS2)2(C5H5N)2] = 0.033wR(F2) = 0.068S = 1.0210953 reflections663 parameters572 restraintsH-atom parameters constrainedmax = 0.80 e Å−3Δρmin = −0.69 e Å−3ΔρAPEX2  used to solve structure: SHELXS97  I. DOI: 10.1107/S1600536813023945/hb7129Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The molecular structure exhibits an S(6) ring motif, owing to an intramolecular O—H⋯O hydrogen bond. In the crystal, weak C—H⋯O contacts generate an infinite chain along the c axis. There are also π–π stacking interactions between neighbouring isochromanedione benzene rings, with a centroid–centroid distance of 3.755 (1) Å, and C—O⋯π interactions with an O⋯centroid distance of 3.964 (2) Å.In the title compound, C DOI: 10.1107/S1600536811050975/fj2488Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811050975/fj2488Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two phenyl groups are disordered over two set of sites in ratios of 0.721 (13):0.279 (13) and 0.71 (7):0.29 (7).In the title compound, [Pt(C DOI: 10.1107/S1600536811010117/jj2077Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The NiII cations are coordinated by two terminal N-bonded thiocyanate anions (trans) and four pyridazine ligands in a slightly distorted octahedral geometry. The discrete complexes are arranged into layers parallel to the ab plane which are separated by additional non-coordinated pyridazine ligands.The reaction of nickel(II) thiocyanate with an excess of pyridazine leads to single crystals of the title compound, [Ni(NCS) DOI: 10.1107/S1600536812023306/bt5930Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


One independent dication is disordered between two conformations in a 0.784 (13):0.216 (13) ratio. In the crystal, intermolecular N—H⋯Cl hydrogen bonds link cations and anions into chains propagated in [0II atom.The asymmetric unit of the title compound, [(CH DOI: 10.1107/S1600536810048749/cv2786Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, molecules are linked via pairs of N—H⋯O hydrogen bonds, forming inversion dimers. These dimers are further connected through π–π interactions between neighbouring quinoline rings [centroid–centroid distance = 3.472 (2) Å], and stack along the c axis.In the title compound, [Co(C DOI: 10.1107/S1600536812011312/bg2451Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The arylimido ligand is linked to an Mo atom of the Lindqvist-type hexamolybdate anion by an Mo N triple bond, with a bond length of 1.732 (4) Å and an Mo N—C bond angle of 169.1 (4)°, typical for monodentate imido groups in such hybrid complexes. Due to the interaction between one H atom in the aryl group and an O atom of a symmetry-related hexamolybdate cluster, the anions form centrosymmetric dimers in the crystal structure. Weak C—H⋯O contacts are observed between the cations and anions. Unresolved disorder in some of the butyl chains of the ammonium cation is noted.The title complex, [(C DOI: 10.1107/S1600536811036063/bh2377Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ligands connect the metal atoms, forming layers parallel to the ab plane. O—H⋯O hydrogen bonds further assemble adjacent layers into a three-dimensional supramolecular network.In the title coordination polymer, {[Dy(C DOI: 10.1107/S1600536810041784/rz2501Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Despite the presence of two very bulky ligands (COT′′ and DippForm), the molecule still contains one coordinated THF ligand. The overall coordination geometry around the SmIII atom resembles a three-legged piano-stool with the COT′′ ligand being η8-coordinated and the DippForm− anion acting as an N,N′-chelating ligand [Sm—N = 2.5555 (15) and 2.4699 (15) Å]. The asymmetric unit also contains a disordered molecule of toluene, the refined ratio of the two components being 0.80 (4):0.20 (4).The title compound, [Sm(C DOI: 10.1107/S1600536810048531/zs2077Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


A free water molecule assists in forming a three-dimensional network holding together the complexes via O—H⋯N, O—H⋯O and N—H⋯O hydrogen bonds.In the title compound, [Cu(NO DOI: 10.1107/S1600536811022367/vn2010Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


These slabs are stacked along the c axis and linked via two different secondary contacts between Pr3+ and Br−. The Pr3+ cations occupy the Wyckoff site 2c with 4mm symmetry and carry four O2− anions as well as four primary Br− anions, yielding a coordination number of 8. While the Br− anions exhibit the same site symmetry as the Pr3+ cations, the oxide anions are located at the Wyckoff position 2a with site symmetry m2 and have four Pr3+ cations as neighbours, defining a tetrahedron.The crystal structure of the praseodymium(III) oxide bromide, PrOBr, can be best described with layers of agglomerated square antiprisms [PrO DOI: 10.1107/S1600536811048227/fi2117Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, intermolecular N—H⋯O hydrogen bonds link the moleclues into ribbons extended along [In the title molecule, C DOI: 10.1107/S1600536811003680/cv5045Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The guanidinium cation (the C atom has site symmetry 3) and the octahedral hexaaquazinc(II) dication (the Zn2+ cation has site symmetry -3) are occupationally disordered in a 1.30:0.35 ratio. In the crystal, the components are linked by O—H⋯O and N—H⋯O hydrogen bonds to generate infinite (001) sheets. Weak aromatic π–π stacking [centroid–centroid distance = 3.797 (8) Å] is also observed in the crystal.In the title molecular salt, (CH DOI: 10.1107/S160053681202987X/hb6768Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


One CuII atom is coordinated by four water molecules and two pyrazine-2-carboxamide ligands in a distorted O4N2 octahedral geometry; the other is N,O-chelated by two pyrazine-2-carboxamide ligands and further coordinated by two sulfate anions in a distorted O4N2 octahedral geometry. The pyrazine-2-carboxamide ligands bridge the CuII atoms to form a polymeric chain running along [110]. The crystal structure features N—H⋯O, O—H⋯O and weak C—H⋯O hydrogen bonds.In the crystal of the title polymeric compound, [Cu DOI: 10.1107/S1600536812031844/xu5585Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


There is no significant intermolecular interaction except very weak C—H⋯Cl interactions. The crystal studied was a racemic twin.In the crystal structure of title compound, [NiCl DOI: 10.1107/S1600536811021209/is2724Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Zn2+ cation is ligated by the N atoms of the tridentate L ligand and two chloride anions, forming a ZnN3Cl2 polyhedron with a distorted trigonal–bipyramidal coordination geometry. In the crystal, nonclassical C—H⋯Cl hydrogen bonds are observed.The title compound, [ZnCl MLX2 compounds , see: Bugarcic et al. ] = 0.026wR(F2) = 0.066S = 1.014711 reflections244 parametersH-atom parameters constrainedmax = 0.30 e Å−3Δρmin = −0.24 e Å−3ΔρSMART  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536812004862/wm2584Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The structure elucidation was undertaken due to its potential as a bidentate ligand for organometallic complexes. The oxathiane ring adopts the expected chair conformation, with the S atom in proximity to the N atom on the pyridine ring. The corresponding S—C—C—N torsion angle is 69.07 (14)°. In the crystal, molecules aggregate as centrosymmetric pairs connected by pairs of C—H⋯N hydrogen bonds.The title compound, C DOI: 10.1107/S1600536812018661/nr2024Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812018661/nr2024Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The 1,3-dioxane ring is in a slightly distorted boat conformation. The crystal structure is stabilized by weak intermolecular C—H⋯O hydrogen bonds.The title compound, C DOI: 10.1107/S1600536811026201/lh5270Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811026201/lh5270Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


IICuI               2(C5H3N2O2)2(CN)2(H2O)2]·2H2O}n, the CuII atom lies on an inversion centre and is octahedrally coordinated by two N atoms and two O atoms from opposing pyrazine-2-carboxylate (2-pac) ligands and two water O atoms. The CuI atom has a triangular geometry, coordinated by one N atom and one C atom from two bridging cyanide ligands, and another N atom from the 2-pac ligand. The three-dimensional structure features a succession of two-dimensional sheets containing [Cu(CN)]n chains linked by Cu(2-pac)2(H2O)2 groups. The coordinated and free water molecules are involved in an extended three-dimensional hydrogen-bond network with the 2-pac ligands.In the title compound, {[Cu For a r al. 2006.       3(C5H3N2O2)2(CN)2(H2O)2]·2H2O = 0.029                           wR(F                           2) = 0.095                           S = 0.99                           1615 reflections145 parameters6 restraintsH atoms treated by a mixture of independent and constrained refinementmax = 0.36 e Å−3                        Δρmin = −0.36 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536811019453/vn2007Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The overall coordination about the NiII atom is square-planar. The C and N atoms of the azaallyl group are sp               2-hybridized. The uneven Ni—C and Ni—N distances [2.045 (5)/2.060 (6) and 1.916 (5) Å] are influenced by a steric hindering effect from the nearby benzene ring.The title compound, [Ni(C DOI: 10.1107/S1600536811009469/jj2080Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Pd⋯I⋯Pd bridges are slightly asymmetric, with Pd—I distances of 2.6709 (6) and 2.7486 (7) Å. The metal atom has a slightly puckered square-planar CI2P environment, the largest deviation from the least-squares plane being 0.143 (8) Å.In the title compound, [Pd DOI: Click here for additional data file.10.1107/S1600536812047733/yk2076Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The structure is pseudocentrosymmetric; the absence of an inversion centre was proved by the Kurtz and Perry method showing a significant second harmonic generation (SHG) signal about ten times lower than that from potassium dihydrogenphosphate. The crystal structure exhibits alternating organic and inorganic layers parallel to the ab plane, which are stabilized by intermolecular N—H⋯Cl interactions.The title compound, (C DOI: Click here for additional data file.10.1107/S1600536813005096/vn2066Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813005096/vn2066Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the anions, the NiIII ions are surrounded by four S atoms in a distorted square-planar geometry. In the crystal, the anions exhibit two different packing modes by stacking along the a axis in face-to-face and side-by-side fashions. Interionic C—H⋯S hydrogen bonds and π–π stacking interactions [centroid–centroid distance = 3.6947 (5) Å] are observed.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811043522/rz2652Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit contains one complete [Co(C10H6O2)(C18H18N4)]+ unit, one tetraphenylborate counter-anion and one acetone and one water molecule that is located on an inversion centre. All the features of the CoIII ion are fully consistent with the formulation of the cation as a Co3+–catecholate complex. Variable-temperature magnetic measurements in the region 2–380 K show a obvious diamagnetism over the observed temperature range. In the title salt, [Co(C DOI: 10.1107/S1600536812035210/hp2037Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Each Mo atom bears two peroxide groups together with one O atom from the oxalate group in its equatorial positions and one terminal O atom as well as another O atom from the oxalate in axial positions. The oxalate group acts as a tetradentate bridging ligand and bridges between the diperoxidomolybdate units.A trimethylphenylammonium salt of a dinuclear μ-oxalate complex of diperoxidomonomolybdate units, (C DOI: Click here for additional data file.10.1107/S1600536812045850/im2410Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


IV atom in the title compound, [Sn(C7H6F)2Cl2(C10H8N2)], shows a trans-C2SnN2Cl2 octahedral coordination [C—Sn—C = 174.81 (10) and 176.71 (9)° in the two independent molecules in the asymmetric unit]; the Cl atoms are cis to each other as are the N atoms of the chelating N-heterocycle.The six-coordinate Sn DOI: 10.1107/S1600536811015686/bt5523Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the complex exhibits a chain structure parallel to the b axis.In the title polymeric coordination compound, [Sn(CH DOI: 10.1107/S1600536810054243/rz2544Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The NH2CH2CHBrCH2Br ligand contains a chiral carbon atom. The Fe—N bond length is 2.011 (3) Å and the Fe—Cp centroid distance is 1.7189 (5) Å. In the crystal, the ions are linked via two N—H⋯F interactions and a weak N—H⋯Br interaction.The title compound, [Fe(η DOI: 10.1107/S1600536812025925/fj2567Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Both bidentate xanthate ligands coordinate the RuII atom with two slightly different Ru—S bond lengths but with virtually equal bite angles [71.57 (4) and 71.58 (3)°]. The packing of the complexes is assured by C—H⋯O and C—H⋯π interactions.In the title compound, [Ru(CH DOI: 10.1107/S1600536813016735/vn2074Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the the crystal, N—H⋯O hydrogen bonding between the cations and the anionic chains consolidates the packing. The crystal structure was determined from an inversion twin with approximately equal twin domains.The structure of the title compound, (C DOI: 10.1107/S1600536812006927/fi2124Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The coordination about the RuII atom can thus be considered octahedral with slight trigonal distortion. The three C atoms of one of the acrylonitrile ligands are disordered over two sets of sites in a 0.581 (13):0.419 (13) ratio.In the title complex, [RuCl DOI: 10.1107/S1600536811035380/jh2321Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Although the results of the previous studies  are comparable with our redetermination, all atoms were refined with anisotropic displacement parameters in the current study, and the resulting bond lengths are more accurate than those determined from powder diffraction data. The title compound adopts the Li3Fe2(PO4)3 structure type. The structure is composed of VO6 octahedra and PO4 tetrahedra by sharing O atoms to form the three-dimensional anionic framework ∞3[V2(PO4)3]3−. The positions of the Li+ ions in the empty channels can vary depending on the synthetic conditions. Bond-valence-sum calculations showed structures that are similar to the results of the present study seem to be more stable compared with others. The classical charge balance of the title compound can be represented as [Li+]3[V3+]2[P5+]3[O2−]12.The structure of Li DOI: Click here for additional data file.10.1107/S1600536813001499/wm2716Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The crystal structure is stabilized by several weak C—H⋯O and C—H⋯Cl hydrogen-bond interactions. One of the phenyl rings is disordered over two almost equally occupied sites.The Pd atom in the title compound, [Pd(C Cl(C5H8N2)] = 0.029wR(F2) = 0.082S = 1.375113 reflections319 parametersH-atom parameters constrainedmax = 0.39 e Å−3Δρmin = −0.40 e Å−3ΔρCrysAlis CCD  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536812003431/bt5799Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


One of the methoxy side chains of the ligand is disordered over two orientations in a 0.700 (6):0.300 (6) ratio.In the centrosymmetric title compound, [OsCl DOI: 10.1107/S1600536811048926/hb6479Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In comparison with the previous study based on single-crystal Weissenberg photographs [Jost n spreading parallel to the b axis with a repeat unit of four tetrahedra. The calculated bond-valence sum value of one of the two AgI ions indicates a significant strain of the structure.Single crystals of silver(I) polyphosphate(V), AgPOJost 1961. Acta Cr DOI: 10.1107/S1600536811003977/wm2454Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials: