The dimethylamino groups are orientated at 41.80 (7) and 36.43 (7)° with respect to the borazine ring. The nitrooxy group is almost normal to the borazine ring [dihedral angle = 85.33 (14)°]. The methyl C atom trans to the NO3 group is displaced by −0.512 (3) Å from the ring plane, whereas the two ortho-methyl C atoms are displaced by 0.239 (3) and 0.178 (3) Å.In the title compound, C DOI: Click here for additional data file.10.1107/S1600536813007484/hb7055Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813007484/hb7055Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The uncoordinated carboxylate O atom forms a weak contact with the Sn atom, with an Sn⋯O separation of 2.962 (2) Å.In the title compound, [Sn(C DOI: 10.1107/S1600536811020496/bh2352Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The (diphenylphosphanylmethyl)diphenylphosphane sulfide ligand coordinates to the CuI atom through one S and one P atom, forming a stable five-membered chelate ring. The P atom of the PF6− anion also lies on a twofold rotation axis.In the title compound, [Cu(C For rel al. 1999; Sivasan al. 2004.25H22P2S)2]PF6 = 0.053wR(F2) = 0.152S = 1.035535 reflections290 parametersH-atom parameters constrainedmax = 0.41 e Å−3Δρmin = −0.55 e Å−3ΔρAPEX2  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S160053681202346X/hy2551Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The asymmetric unit consists of three aggregates of the empirical formula. The tetraanionic bimetallic molybdenum(VI) cluster is unprecedented and contains two sulfate and one oxide bridges. This structure constitutes the first example of a non-polymeric compound with terminal oxide, sulfate and halide ligands bonded to the same metal. The hydrogen bonds connecting the pyridinium cations to the molybdenum clusters are diverse, varying from strong and directional interactions to bifurcated bonds with a subsequent loss of directionality.The title salt, (C DOI: 10.1107/S1600536810028254/tk2692Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The mean bond lengths in the biferrocene unit are Fe—C = 2.048 (10) Å and C—C = 1.427 (8) Å within the cyclopentadienyl rings. The B—N bond lengths of the BH3 protected amine is 1.631 (3) Å. The interplanar angle between the two connected cyclopentadienyl rings is 54.29 (8)° and the corresponding Fe—Cg—Cg—Fe torsion angle is −52.5°. The conformation of the molecule is stabilized by an intramolecular C—H⋯Br interaction.The title structure, [Fe DOI: 10.1107/S1600536811049270/bq2322Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each Cd2+ cation is coordinated by four N atoms of one terminal N-bonded thiocyanate anion and one bis(3-aminopropyl)amine co-ligand, and by two O atoms of two symmetry-related sulfate anions, defining a slightly distorted octahedral coordination polyhedron. Each two Cd2+ cations are connected into dimers, which are located on centres of inversion and which are further μ-1,1:3,3-bridged via the sulfate anions into polymeric zigzag chains along the a axis.The asymmetric unit of the title compound, {[Cd DOI: 10.1107/S1600536811031163/bt5596Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Furthermore, two symmetric TbO9 polyhedra share their edges, forming Tb2O16 dimers, which are linked by adipate bridges into a layered structure. Intermolecular O—H⋯O hydrogen bonds link these layers into a three-dimensional network. One of the C atoms of the adipate ligand is disordered over two positions with site-occupancy factors of 0.622 (9) and 0.378 (9). The structure also contains a disordered molecule of water of hydration, lying close to a special position, with partial occupancy. In the title terbium coordination polymer, {[Tb DOI: 10.1107/S1600536811007719/pv2390Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Molecules are packed in positions of least steric hindrance, with the phosphane ligands positioned above and below the Rh–acetylacetonate backbone.The title compound, [Rh(C DOI: 10.1107/S1600536811050483/mw2037Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The VV atom is five-coordinated by N,O,O′-donor atoms of the Schiff base ligand, one methoxy O atom and one oxide O atom, forming a square-pyramidal geometry.The title oxidovanadium(V) complex, [V(C DOI: 10.1107/S1600536811050173/qm2035Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is stabilized by C—H⋯N and C—H⋯S hydrogen bonds.In the title compound, [CdI DOI: 10.1107/S1600536810028114/wm2373Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ferrocenyl rings are skewed by 6.7 (4)° from the ideal eclipsed conformation. The interplanar angle between the plane of the substituted cyclopentadienyl ring and that of the imidazole ring is 89.9 (4)°. The crystal packing is stabilized by C—H⋯F hydrogen bonds.The crystal structure of the title compound, [Fe(C DOI: 10.1107/S1600536812008719/fj2522Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


One K+ ion is coordinated by seven O atoms from the sulfonate and phenolic hydroxy groups of six 4,6-dihydroxybenzene-1,3-disulfonate (L               2−) anions while the other K+ ion is coordinated by six O atoms from the sulfonate and phenolic hydroxy groups of five L               2− anions and one water O atom. The L               2− anion exhibits chelating–bridging multidentate coordination to potassium, resulting in the formation of a cross-linked three-dimensional network.In the title salt, [K DOI: 10.1107/S1600536811047210/vm2127Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The 1-[(4-methylphenyl)iminomethyl]-2-naphtholate ligands are coordinated in a trans arrangement with respect to the N and O atoms.In the title complex, [Cu(C DOI: 10.1107/S1600536810030667/lh5095Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two acetylacetonate ligands, related by a centre of symmetry, are coordinated to the central metal atom in a square-planar configuration while the methyne C atoms of the acetylacetonate ligands, ca 3.02 Å away, are orthogonal to this plane at the metal site.The title complex, [Cu DOI: 10.1107/S160053681002756X/su2192Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CdII atom adopts a distorted tetrahedral coordination geometry. In the crystal, complex molecules are linked into columns parallel to [101] by π–π stacking interactions, with centroid–centroid distances of 3.558 (2) Å.In the title compound, [Cd DOI: 10.1107/S1600536811042334/rz2634Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal packing is controlled by C—H⋯O hydrogen bonding and π–π stacking interactions involving the benzene rings, with a centroid–centroid distance of 3.4220 (1) Å.In the title compound, (C DOI: 10.1107/S160053681002893X/pv2307Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The indeno–quinoxaline ring system [86.44 (5)°], the methylphenyl ring [86.06 (7)°] and the ferrocene rings [82.00 (7) and 83.95 (9)°] are almost perpendicular to the pyrrolidine ring. The two cyclopentadienyl rings adopt an eclipsed conformation. The crystal structure features C—H⋯N interactions.In the title compound, [Fe(C DOI: 10.1107/S1600536812036951/bt6825Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812036951/bt6825Isup4.molSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Adjacent Sn atoms are bridged by the two O atoms of the carboxylate ligand, forming a chain structure along the a-axis direction.In the title polymeric coordination compound, [Sn(CH DOI: 10.1107/S160053681104918X/kp2369Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The HgII ions are four-coordinated in a distorted tetrahedral geometry, the coordination demand being satisfied either by four bridging iodide ligands or by three iodide ligands  and a thiocarbonyl S atom. Due to the bridging nature of the dithione ligand, the coordination polymer has a two-dimensional structure, built up of undulated layers parallel to (001). There is an inversion center at the mid-point of the central C=C double bond.The title compound, poly[(μ DOI: 10.1107/S1600536811006556/fi2103Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CrC4P2 coordination geometry at the Cr atom is distorted octahedral, with a P—Cr—P bite angle of 80.27 (1)°.The title compound, [Cr(C DOI: 10.1107/S1600536810043679/cv2781Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The bond lengths and bond angles are within normal ranges. The dihedral angle between the least-squares planes of the aromatic rings within each ligand is 82.76 (17)°.In the title Schiff base complex, [Zn(C DOI: Click here for additional data file.10.1107/S1600536812043930/ds2215Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The dihedral angle between the fused ring  system and the pyridinone ring in the cation is 6.91 (6)°. In the crystal, bifurcated N—H⋯ and O—H⋯Br hydrogen bonds and S⋯O contacts [S⋯O = 3.0526 (10) Å] connect the components into a three-dimensional network. The closest centroid–centroid distance between two π-systems is 3.7420 (7) Å between two benzene rings.The title hydrated molecular salt, C DOI: 10.1107/S1600536811022847/yk2012Isup3.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811022847/yk2012Isup4.cdx            Supplementary material file. DOI: 10.1107/S1600536811022847/yk2012Isup4.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, weak C—H⋯O hydrogen bonds and weak Ag⋯Ag interactions [3.2628 (5) Å] are observed.In the title compound, [Ag(C DOI: 10.1107/S1600536812015218/lh5431Isup2.cdxSupplementary material file. DOI: 10.1107/S1600536812015218/lh5431Isup3.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The bond lengths at iridium show the expected trans influence, with Ir—N trans to C being appreciably longer than trans to N. The chelate rings are mutually perpendicular to a reasonable approximation [interplanar angles ranging from 77.79 (6) to 83.93 (7)°]. All ligands are approximately planar; the maximum interplanar angles within ligands are ca 12°. One CDCl3 solvent molecule is severly disordered and was excluded from the refinement.In the title compound, [Ir(C DOI: 10.1107/S1600536810038596/bt5363Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


While four of the HPAA ligands coordinate to just one Tm atom, the remaining two HPAA ligands bridge the two Tm atoms. In the crystal, O—H⋯O and O—H⋯N hydrogen bonds link the molecules into a three-dimensional network.In the title dinuclear complex, [Tm DOI: 10.1107/S1600536810043898/bt5387Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The N atom of the ammonium group is displaced by 1.182 (2) Å from the plane of the substituted cyclopentadienyl (Cp) ring towards the Fe atom, whereas the C atom attached to the same Cp ring is slightly below this plane by −0.128 (2) Å. These deviations might result from weak agostic interactions between the two H atoms of the CH2 group and the Fe atom.The title compound, [Fe(C DOI: Click here for additional data file.10.1107/S1600536812046053/rn2109Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


DOI: 10.1107/S1600536812011786/bt5848Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The N-heterocycle-chelated PbII atom exists in a distorted octahedral geometry owing to two long Pb⋯Br interactions [2.9562 (5) and 3.2594 (5) Å]. These result in a zigzag chain running along the c axis. The lone pair is stereochemically inactive.In the title compound, [PbBr DOI: 10.1107/S160053681201940X/bt5905Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The intramolecular O—H⋯O hydrogen bond is highly strained due to the molecular geometry and, as a result, is much shorter than expected. Intermolecular C—H⋯O and C—H⋯O interactions are also observed.In the title complex, [Cu(C DOI: 10.1107/S1600536811016126/br2165Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, there are no hydrogen bonds  present, and only very weak π–π interactions  are observed [centroid–centroid distance = 3.985 (4) Å], which connect neighbouring tetranuclear units into a chain motif along the b axis.In the title centrosymmetric tetranuclear complex, [Cu DOI: 10.1107/S1600536811026468/su2284Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dimers are bridged by N,N,N′,N′-tetramethylethylenediamine ligands, which act in an unusual extended non-chelating coordination mode. This gives a one-dimensional coordination polymer that extends parallel to the a-axis direction.The title compound, [Na DOI: Click here for additional data file.10.1107/S1600536812045126/pk2451Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the cation, the non-H atoms of the butan-2-one group are approximately planar (r.m.s. deviation = 0.056 Å) and lie nearly perpendicular to the plane of the phenyl ring with a dihedral angle between the two planes of 69.3 (1)°. No significant C—H⋯O interactions are observed between the methyl and phenyl H atoms and the carbonyl O atom.The title compound, [Ru(C DOI: 10.1107/S1600536810046064/bv2166Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The molecules assume an approximate propellar shape, with the three aromatic rings being bent with respect to the plane formed by the C atoms that are connected to the methine C atom .The title compound, C DOI: 10.1107/S1600536812003698/bt5804Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812003698/bt5804Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The PdII atom, lying on an inversion center, has a square-planar coordination geometry, with Pd—S bond lengths of 2.276 (3) and 2.294 (3) Å.In the title complex, (C DOI: 10.1107/S1600536811053402/hy2494Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the pyridine rings of the Schiff base is 55.58 (14)°. The F atoms of the tetrafluoridoborate anion are disordered over two sets of sites with occupancies of 0.614 (3) and 0.386 (3). In the crystal, the components are linked by C—H⋯F interactions.In the title compound, [Cu(NCS)(C For a r al. 2010. For rel al. 1997; Chattop al. 2006; Rahaman al. 2005.       17H20N4)]BF4                         = 0.039                           wR(F                           2) = 0.107                           S = 1.03                           5059 reflections310 parameters56 restraintsH-atom parameters constrainedmax = 0.35 e Å−3                        Δρmin = −0.28 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536811021040/hb5899Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the substituted cyclopentadienyl ring and the pyrimidinyl ring is 12.02 (1)°. The conformation of the two cyclopentadienyl rings in the ferrocenyl moiety is eclipsed.In the title compound, [Fe(C DOI: 10.1107/S1600536814004917/fj2665Isup2.hklStructure factors: contains datablock(s) I. DOI: 989734CCDC reference:  crystallographic information; 3D view; checkCIF reportAdditional supporting information:


IV atom in the title ammonium stannate, (Et3NH)[Sn(C5H3N2O2)Cl4], is chelated by an pyrazine-2-carboxylate ligand and exists in a cis-SnCl4NO octahedral geometry. The cation and the anion are linked by an N—H⋯N hydrogen bond.The Sn DOI: 10.1107/S1600536811016473/qk2007Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Extensive hydrogen bonds establish a layered network structure extending parallel to (001).In the three-dimensional tetrachlorophthalate-bridged title complex [Er(C DOI: 10.1107/S1600536812016923/bt5856Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


One presents a trigonal-bipyramidal coordination geometry defined by five O atoms , while the other lies on an inversion centre and exists in a slightly distorted octahedral coordination geometry defined by six O atoms (two from two carboxylate groups of two BTC ligands and the others from four water molecules). A three-dimensional framework is further strengthened via O—H⋯O hydrogen-bonding interactons.In the title compound, {[Zn DOI: 10.1107/S160053681101436X/zk2004Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Pseudo-octahedrally coordinated HgII cations are chloride-bridged via a crystallographic inversion centre leading to different Hg—Cl bonds (short and long) and linked by other Cl atoms via translation along the a axis. The quinazoline ligands connect the Hg—Cl—Hg—Cl chains by N and O atoms along the b axis, forming the two-dimensional network structure. The crystal structure is stabilized by weak non-classical C—H⋯Cl hydrogen bonds and aromatic π–π stacking interactions [centroid–centroid distances = 3.942 (4) and 3.621 (4) Å].In the crystal structure of the title two-dimensional network, [HgCl DOI: 10.1107/S1600536811022471/si2358Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each L ligand also lies across an inversion center and bridges two CuII ions, forming a polymeric chain running along the [101] direction. The three O atoms of the nitrate group are disordered over two positions in a 3:2 ratio.In the title coordination polymer, [Cu(NO DOI: 10.1107/S1600536811020605/xu5198Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The central CoII ion is coordinated by four water molecules and two 2-methylimidazole ligands, resulting in a trans-octahedral coordination geometry. The existence of strong N—H⋯O and O—H⋯O hydrogen-bonding interactions gives rise to a three-dimensional structure.In the title complex, [Co(C DOI: 10.1107/S160053681104548X/fj2459Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Both of the CoII ions are coordinated in a distorted octahedral geometry. Four L ligands bind to each pair of CoII atoms in a plane, two of which bridge the two CoII atoms as bidentate groups while the other two coordinate to a single CoII atom in a monodentate mode. Two half-molecules of 4,4′-bipyridine coordinate the CoII atoms from the upside and underside. The packing features extensice O—H⋯O hydrogen bonding.The title coordination compound, {[Co(C DOI: 10.1107/S1600536811012475/om2417Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536810047501/nc2197Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II complex, [Pd(CH3)Cl(C26H22NP)], the PdII atom is coordinated in a slightly distorted square-planar geometry by the imino N and phosphane P atoms of the ligand, by one chloride ion and by a methyl ligand. The methyl group is trans to the N atom of the ligand.In the title Pd Cl(C26H22NP)] = 0.034                           wR(F                           2) = 0.091                           S = 1.03                           5809 reflections281 parametersH-atom parameters constrainedmax = 1.21 e Å−3                        Δρmin = −0.62 e Å−3                        Δρ                                 APEX2  I, global. DOI: 10.1107/S1600536811040074/im2317Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination sphere of the CdII atom is built of two symmetry-equivalent N atoms of one 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand and two symmetry-equivalent I atoms, thus forming a distorted tetrahedral geometry. Inversion-related molecules interact along the c-axis direction by π–π stacking interactions between the phenanthroline ring systems, with centroid–centroid distances of 3.707 (9) and 3.597 (10) Å.In the title compound, [CdI DOI: 10.1107/S1600536811044667/pk2353Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two CdII atoms have quite different coordination environments: one is octahedrally coordinated by four Cl atoms and two N atoms from two 1-ethyl-1H-imidazole ligands, and the second is in a severely distorted fivefold coordination by four Cl atoms and one N atom from a 1-ethyl-1H-imidazole ligand. Adjacent CdII cations are interconnected alternately by pairs of chloride bridges, generating an infinite step-like chain along the a axis. One ethyl group of the 1-ethyl-1H-imidazole ligand is disordered over two sets of sites with a 0.668 (13):0.332 (13) site-occupancy ratio. The asymmetric unit of the crystal structure of the title compound, [Cd DOI: 10.1107/S160053681104894X/vn2017Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit comprises the following atoms with site symmetries as shown: U1 (mm2), Cs1 (222), Cs2 (m2m), Pd1 (.m.), Pd2 (2mm), Se1 (m..), and Se2 (1). This layered structure contains six edge-sharing square-planar [PdSe4] units that form a hexagon. These, in turn, edge-share with [USe6] trigonal–prismatic units, forming an extended layer parallel to (010). The layers are stacked along [010]. They are staggered, and are separated by the Cs atoms. The Cs atoms are either coordinated in a square antiprism of Se atoms or are ten-coordinate, with one square face and the opposite face hexagonal.Dicaesium uranium(IV) tripalladium(II) hexaselenide, Cs DOI: 10.1107/S1600536810053924/wm2437Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each LaIII ion is nine-coordinated by one 1,10-phenanthroline molecule, one bidentate chelating carboxylate group and four bridging carboxylate groups in a distorted LaN2O7 monocapped square-antiprismatic geometry.In the centrosymmetric binuclear title complex, [La DOI: 10.1107/S1600536811036117/wm2525Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Selected geometric parameters include: Rh—P = 2.3430 (8) Å, Rh—Cl = 2.434 (3) Å, Rh—C = 1.722 (8) Å, P—Rh—P = 180.00 (3)°, P—Rh—Cl = 95.40 (7)°, 84.60 (7)° and Rh—C—O = 177.9 (8)°.The title compound,  DOI: 10.1107/S1600536812012421/hp2033Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The latter ligand is not involved in formation of the title complex. There are three different NiII atoms in the asymmetric unit, two of which are located on inversion centers, and thus the [Ni(H2O)6]2+ cation and the trinuclear {[Ni(pydc)2]2-μ-Ni(H2O)4}2− anion are centrosymmetric. All NiII atoms exhibit an octahedral coordination geometry. Various interactions, including numerous O—H⋯O and C—H⋯O hydrogen bonds and C—O⋯π stacking of the pyridine and carboxylate groups , are observed in the crystal structure.The title compound, [Ni(H DOI: 10.1107/S1600536810028977/gk2279Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


IV atom in the title diorganotin dithiocarbamate, [Sn(C4H9)2(C15H14NS2)Cl], is pentacoordinated by an asymmetrically coordinating dithiocarbamate ligand, a Cl atom and two C atoms of the Sn-bound tert-butyl groups. The resulting C2ClS2 donor set defines a coordination geometry intermediate between square pyramidal and trigonal bipyramidal with a slight tendency towards the former.The Sn DOI: 10.1107/S1600536811006866/pk2305Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the hydroxy H atom is equally disordered over two orientations, and links with an adjacent molecule via an O—H⋯O hydrogen bond in both cases. Weak intermolecular C—H⋯O hydrogen bonding is also a feature of the crystal structure. In the title compound, C DOI: 10.1107/S1600536811013304/xu5182Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the components are linked by N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds.In the title compound, [Gd(C DOI: 10.1107/S1600536810020520/hb5454Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


There are no significant intermolecular interactions in the crystal except for some weak C—H⋯Cl contacts, which in turn indicates that the crystal packing is determined predominantly by electrostatic interactions between the ionic constituents.The molecular geometry of the complex cation in the title structure, [(μ-Cl) al. 1999. J. Orga DOI: 10.1107/S160053681103621X/su2311Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The bond lengths  and angles (C—Fe—Fe and Fe—S—Fe) are within expected ranges. The S⋯S distance [2.9069 (12) Å] and the dihedral angle between two Fe—S—Fe planes [78.5 (3)°] of the butterfly-shaped Fe2S2 core are enlarged compared with related bridged dithiolate diiron analogues. The calculated 4-benzothiazolebenzyl best planes are almost parallel [dihedral angle = 3.7 (7)°].The title compound, [Fe DOI: 10.1107/S1600536812007581/vm2158Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal structure, symmetry-related molecules are linked by N—H⋯O hydrogen bonds, generating a three-dimensional network.In the title complex, [Ni(C DOI: 10.1107/S1600536810041577/lh5153Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


A short Cd⋯N contact [2.890 (3) Å] to the monodentate sulfadiazinate ion also occurs. The dihedral angles between the planes of the aromatic rings of the anions are 86.81 (14) and 68.65 (14)°. The crystal structure features intermolecular N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds.In the title compound, [Cd(C DOI: 10.1107/S1600536811019635/hb5888Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The tridentate acetohydrazide ligand chelates in a meridional fashion. The chloride ligand in the axial position forms a long Cu—Cl distance of 2.4892 (9) Å. In contrast, the Cu—Cl distance from the equatorial chloride ligand is much shorter [2.2110 (7) Å]. Intermolecular N—H⋯Cl and C—H⋯Cl hydrogen bonds link the complexes into a three-dimensional network.In the title compound, [CuCl DOI: 10.1107/S1600536810053195/pv2372Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The conformation of 1,3-diazepane ring is close to a twisted chair. One intramolecular and three intermolecular N—H⋯O hydrogen bonds stabilize the molecular conformation and the crystal structure, respectively.The title compound, C DOI: 10.1107/S1600536810049676/bx2320Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The bridging groups form a polymeric chain substructure extending along the c axis, the chains being connected by coordinated-water O—H⋯N and O—H⋯Ocarboxylate hydrogen bonds into a three-dimensional framework structure.In the title complex, [Ca(C DOI: 10.1107/S1600536810039401/zs2067Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


E)-4-chloro-2-[(pyridin-2-ylimino)methyl]phenol was reacted with InCl3·4H2O, generating the title molecular salt, (C5H7N2)3[InCl6]. The octahedral hexachloridoindate(III) anion is located on an inversion centre, and one half of the anion and two crystallographically independent cations form the asymmetric unit. One of the cations is located on a twofold rotation axis and its intra-ring C and N atoms simulate this symmetry by exchanging their positions in statistical disorder. In the crystal, weak N—H⋯Cl hydrogen bonds and two types of π–π interactions with centroid–centroid separations of 4.047 (3) and 4.202 (3) Å are observed.The Schiff base ( DOI: 10.1107/S1600536811043285/kp2354Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811043285/kp2354Isup3.cdx            Supplementary material file. DOI: 10.1107/S1600536811043285/kp2354Isup4.mol            Supplementary material file. DOI: 10.1107/S1600536811043285/kp2354Isup5.mol            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The resulting graph-set descriptor of this ring system is R22(10). The nitrate counter-anions connect the dicationic dimers via N—H⋯O hydrogen bonds, forming two-dimensional networks in the bc plane.In the crystal of the title salt, C DOI: 10.1107/S1600536813027694/lh5656Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813027694/lh5656Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


II complexes based on different organic carboxylic acids are described by Zhou et al. (C12H8N2)] = 0.029                           wR(F                           2) = 0.078                           S = 1.04                           2546 reflections159 parametersH-atom parameters constrainedmax = 0.32 e Å−3                        Δρmin = −0.34 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536811022392/vn2012Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination environment is formed by two 5,7-dimethyl-1,2,4-triazolopyrimidine (dmtp) ligands, coordinated through the N atom in position 3, and two cyanate anions interacting by their N atoms. Supramolecular dimers are generated by stacking interactions between the pyrimidine rings of two ligands related by an inversion center [centroid–centroid distance = 3.5444 (18) Å].In the title complex, [Zn(NCO) DOI: 10.1107/S1600536811005769/su2253Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The anions are disordered each over two sets of sites, with an occupancy ratio of 0.617 (6):0.383 (6). The distances from the Fe atoms to the centroids of the unsubstituted and substituted cyclopentadienyl (Cp) rings are 1.645 (1)/1.657 (1) and 1.644 (1)/1.647 (1) Å. The dihedral angles between the two Cp rings are 2.49 (3) and 1.45 (4)° in the two ferrocenyl groups of the cations.The asymmetric unit of the title complex, [Fe(C DOI: 10.1107/S1600536812001766/hy2506Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


A three-dimensional network is formed in the crystal structure by multiple O—H⋯O hydrogen bonds between the coordinating water molecules and the free carboxylate groups.In the title compound, [Mn(C DOI: 10.1107/S1600536812014602/bt5868Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


DOI: 10.1107/S1600536811043972/ff2038Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The framework of the structure is built up from [FeO5] trigonal bipyramids and [MO6]  octahedra sharing corners and edges and connected by two types of bridging PO4 tetrahedra. The K+ cations are nine-coordinated and are situated in channels running along [101].KMg DOI: 10.1107/S1600536812023975/wm2629Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


H-1,5-benzodiazepin-2(3H)-one reacts in the presence of a concentrated aqueous solution of sodium hydroxide and a quaternary ammonium salt  in benzene  with propargyl bromide, affording the title benzodiazepine derivative, C18H14N2O. In the molecule, the mean plane of the propargyl substituent is almost perpendicular with that of the amide group [dihedral angle = 87.81 (8)°]. In the crystal, the molecules are linked by C—H⋯O and C—H⋯N interactions.4-Phenyl-1 DOI: 10.1107/S1600536811027371/tk2762Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811027371/tk2762Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The chelating Schiff base anions define a square-planar N2O2 donor set. The nearly perpendicular orientation of the naphthyl residues of the chelate ring [dihedral angle = 82.12 (12)°] precludes the CuII centre from additional coordination. In the refinement, the naphthyl rings were found to be disordered over two positions.; the major component has a site occupancy of 0.667 (4).The title complex, [Cu(C II Schiff base compounds, see: Safaei et al. 2] = 0.074wR(F2) = 0.157S = 1.102888 reflections240 parameters69 restraintsH-atom parameters constrainedmax = 0.95 e Å−3Δρmin = −1.09 e Å−3ΔρCrysAlis PRO  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536812004989/pv2510Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


An alternative description of the metal coordination geometry, if long Cu—O contacts to the bonded nitrate anions are considered, is an extremely distorted cis-CuN2O4 octahedron. The complete L ligand is generated by crystallographic twofold symmetry and connects the metal ions into infinite chains propagating in [10B) ring is 51.12 (11)° and the dihedral angle between the B ring and the central ring is 19.45 (13)°.In the title one-dimensional coordination polymer, [Cu(NO DOI: 10.1107/S1600536811013596/hb5843Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The doubly-deprotonated Schiff base O,N,O′-chelates to the VV atom; two metal atoms are bridged by the methoxide units. The coordination geometry is a distorted octahedron. Weak intermolecular C—H⋯N hydrogen bonding is present in the crystal structure. The bromophenyl unit is disordered over two positions, with the major component being in a 0.909 (6) proportion.The dinuclear compound, [V For the isotypic compound that has chlorine in place of bromine, see: Sarkar & Pal 2009.       2(C12H11BrN2O2)2(CH3O)2O2] = 0.023                           wR(F                           2) = 0.060                           S = 0.99                           3400 reflections221 parameters44 restraintsH-atom parameters constrainedmax = 0.96 e Å−3                        Δρmin = −0.32 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536811021647/xu5231Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the complex exhibits a zigzag chain structure running parallel to the c axis. An intrachain C—H⋯O hydrogen bond is observed.In the polymeric title coordination compound, [Sn(C DOI: 10.1107/S1600536811049245/rz2663Isup2.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 lead to a three-dimensional supramolecular network. Intramolecular O—H⋯N hydrogen bonds and π–π interactions between the benzene rings and between the benzene and triazole rings [centroid–centroid distances = 3.657 (1) and 3.752 (1) Å] are observed.In the title compound, [Cu(C DOI: 10.1107/S1600536811018356/hy2429Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit comprises one Eu3+ cation, two aqua ligands and one and a half thiophene-2,5-dicarboxylate anions . The Eu3+ cation is eight-coordinated in a distorted dodecahedral geometry. The crystal structure features O—H⋯O hydrogen bonds.The three-dimensional coordination polymer, [Eu DOI: 10.1107/S1600536812029546/rk2364Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


III atom in the title complex, [Mn(C11H10N3O)2]NO3, is coordinated by the two tridentate (2-pyridyl)(2-pyridylamino)methanolate ligands, forming a six-coordinate environment. The four pyridyl N atoms constitute the equatorial plane on which the manganese(III) ion lies; the coordination plane suffers a slight distortion as indicated by the average plane deviation of 0.058 Å. The methanolate O atoms occupy the axial positions. The coordination geometry is thus octahedral. In the title compound, the cations are linked by nitrate anions via N—H⋯O hydrogen bonds to form one-dimensional chains. Moreover, the one-dimensional structure is stabilized by intermolecular edge-to-face aromatic π–π interactions with a center-of-inversion at a distance of ca 4.634 Å.The Mn DOI: 10.1107/S1600536811014371/zk2005Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The average Ru—S bond length is 2.41 (1) Å and the average S—Ru—S bite angle is 81.13 (19)°.In the title complex, [Ru(C DOI: Click here for additional data file.10.1107/S1600536813014141/hy2626Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The packing of the structure involves weak π–π interactions between the pyridyl and benzene rings of neighbouring ppaBr ligands [centroid–centroid distance = 3.928 (2) Å] and interactions between the Br atom on the ppaBr ligand and the hfac ligand [Br⋯C = 3.531 (2) Å].In the title complex, [Co(C DOI: 10.1107/S1600536810032757/zs2056Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


A weak intramolecular C—H⋯O interaction is noted. The crystal studied was a racemic twin.The structure of the title compound, [Pd(C DOI: 10.1107/S1600536812040068/tk5150Isup2.molSupplementary material file. DOI: 10.1107/S1600536812040068/tk5150Isup3.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal structure, C—H⋯Cl hydrogen-bonding interactions connect the molecules into a three-dimensional network.In the title compound, [CdCl DOI: 10.1107/S1600536810043163/pv2344Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The benzene ring is almost coplanar with the oxadiazole ring [dihedral angle = 7.2 (2)°].The complete molecule of the title compound, C DOI: 10.1107/S1600536810042315/zs2072Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination geometry at the RhI ion is distorted square-planar. The toluene solvent molecule is disordered over two different orientations, with site-occupation factors of 0.810 (2) and 0.190 (2).The reaction of (η DOI: 10.1107/S1600536812002851/bt5795Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


A chain structure along [100] is built up by intermolecular O—H⋯O hydrogen bonds involving the uncoordinated water molecules.In the title compound, [Cu(CH DOI: 10.1107/S1600536810021495/ng2782Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is made up of ∞               1[Nb2PS10] chains expanding along [010]. These chains are built up from bicapped trigonal-prismatic [Nb2S12] units and tetrahedral [PS4] groups and are linked through a linear S—Ag—S bridge, forming a two-dimensional layer. These layers then stack on top of each other, completing the three-dimensional structure with an undulating van der Waals gap. The disordered Cs+ ions reside on sites with half-occupation in the voids of this arrangement. Short [2.8843 (5) Å] and long [3.7316 (4) Å] Nb—Nb distances alternate along the chains, and anionic S2               2− and S2− species are observed. The charge balance of the compound can be represented by the formula [Cs+]0.5[Ag+]0.5[Nb4+]2[PS4               3−][S2               2−]3.The quinternary thiophosphate Cs DOI: 10.1107/S1600536810021768/wm2357Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536810021859/hg2685Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The PtII complexes reveal a slightly distorted square-planar geometry with average Pt—P and Pt—Cl bond lengthss of 2.252 (8) and 2.363 (8) Å, respectively, and average P—Pt—P and Cl—Pt—Cl angles of 99.17 (8) and 87.1 (7)°, respectively.The asymmetric unit of the title compound, [PtCl For rel2(C19H17P)2]2·3CH2Cl2                         = 0.020                           wR(F                           2) = 0.049                           S = 0.95                           18701 reflections866 parameters1 restraintH-atom parameters constrainedmax = 1.60 e Å−3                        Δρmin = −1.55 e Å−3                        Δρ                                 APEX2  used to solve structure: SIR97 publCIF  global, I. DOI: 10.1107/S1600536811049269/kp2365Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The structure of this hybrid compound consists of isolated inorganic chains with composition ∞[In(HPO4)4/2(OH)2/2] running along [010]. The coordination of the InIII atom is distorted octahedral. The ethylenediammonium cation and the disordered water molecule (site-occupation factors = 0.7:0.3) ensure the cohesion of the structure via N—H⋯O and O—H⋯O hydrogen bonds.The title compound, (C DOI: 10.1107/S160053681003240X/wm2383Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The seat is defined by the mean plane of the four-atom attachment points (r.m.s. deviation = 0.014 Å) of the two bicycloheptane substituents. These substituents comprise the pommel and cantle, with each mean plane defined by four atoms proximate to the seat (r.m.s. deviations = 0.001 and 0.000 Å). Relative to the seat, the pommel and cantle bend up 33.36 (5) and 34.22 (4)°, while the benzo units  bend down 33.48 (4) and 36.58 (4)°.In the title compound, C DOI: 10.1107/S160053681104493X/mw2032Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S160053681104493X/mw2032Isup3.cdx            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The geometry around the CuII atom is distorted square-pyramidal. The molecules pack in the crystal structure via O—H⋯Cl, O—H⋯N, C—H⋯Cl and C—H⋯O hydrogen bonds, C—H⋯π and π–π interactions , forming sheet-like assemblies.The title compound, [CuCl DOI: 10.1107/S1600536811025414/tk2760Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811025414/tk2760Isup3.mol            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The water molecules and the organic cations interact with the [ZnCl4]2− complex anions, building up a two-dimensional hydrogen-bonded network parallel to (100).In the title compound, (C DOI: 10.1107/S1600536811017478/dn2685Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The complex is located on a twofold axis. The coordination geometry is close to forming a see-saw (SS-4) polyhedron, the symmetry-related organic ligands being almost perpendicular; the dihedral angles between the two pyridine rings and between the two benzene rings are 85.5 (4) and 87.7 (4)°, respectively. Within the organic ligand, the pyridine ring is nearly coplanar with the benzene ring [dihedral angle = 13.1 (8)°]. In the crystal, the molecular complexes are connected through weak intermolecular C—H⋯Br contacts.In the title compound, [HgBr DOI: 10.1107/S1600536811049993/bh2387Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The structure is based on a framework of edge- and corner-sharing MgO6 and MgO4(OH)2 octahedra, an MgO5 polyhedron, PO4 and PO3(OH) tetrahedra. All atoms are in general positions except for one Mg atom, which is located on a crystallographic inversion centre. The OH groups, bridging Mg–(OH)–P, are involved in strong hydrogen bonds. Compounds with the general formula M               7(PO4)2(HPO4)4  are all isostructural with their homologue arsenate Mg7(AsO4)2(HAsO4)4.The title compound, Mg DOI: 10.1107/S1600536811036361/bt5638Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811036361/bt5638Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CdII ion is in a strongly distorted CdN2O5 pentagonal-bipyramidal geometry, defined by two N atoms from one 2,2′-bipyridine ligand and five O atoms from three 2-phenylquinoline-4-carboxylate ligands, one monodentate, two bidentate. Weak intermolecular π–π interactions [centroid–centroid distance = 3.712 (3) Å] help to establish the packing of the structure.The neutral binuclear title complex, [Cd DOI: 10.1107/S1600536810049640/bh2323Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ligand shows a non-coplanar conformation, in which the dihedral angles between the two terminal pyridine rings and the linking benzene ring are 7.275 (17) and 74.020 (14)°. The flexible ligands link the HgII atoms into a chain running along [010], with an Hg⋯Hg separation of 10.335 (5) Å, which is equal to the b axis. The chains are connected by C—H⋯O and C—H⋯Cl hydrogen bonds.In the title compound, [HgCl DOI: 10.1107/S1600536811038323/hy2469Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The sulfate tetrahedron is rotationally disordered over two positions in a 0.651 (12):0.349 (12) ratio. In the crystal, adjacent molecules are linked through O—H⋯O and O—H⋯N hydrogen bonds into a three-dimensional network. In the title complex, [Cd(SO DOI: 10.1107/S1600536811032442/pk2337Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


One carboxylate group of the 5-aminoisophthalate dianion chelates a Co cation and the other carboxylate group bridges the other two Co cations, while the terminal N atoms of the 1,2-bis(4-pyridyl)ethane ligand coordinate the neighboring Co cations, forming a two-dimensional polymeric architecture. Two pyridine rings of the 1,2-bis(4-pyridyl)ethane ligand are twisted to each other with a dihedral angle of 50.94 (16)°. Weak C—H⋯O hydrogen bonding and N—H⋯π interactions are observed in the crystal structure. A void of 69 (5) Å3 is present in the crystal structure, but no solvent molecule can be located reasonably.In the title compound, [Co(C DOI: 10.1107/S1600536810030710/xu5004Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the components are linked into a three dimensional network by O—H⋯O, N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds and a π–π interaction with a centroid–centroid distance of 3.6080 (8) Å.In the complex anion of the title compound, (C DOI: 10.1107/S1600536811011147/is2693Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the cations, the morpholine rings display chair conformations. Extensive N—H⋯O, N—H⋯N, O—H⋯O and O—H⋯N hydrogen bonds are present in the crystal structure.The crystal structure of the title compound, (C DOI: 10.1107/S1600536811001772/xu5096Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


There are two intramolecular hydrogen bonds [amine N—H⋯Ocarboxyl and water O—H⋯Ocarboxyl], while extensive intermolecular water O—H⋯O hydrogen-bonding interactions extend the complex units into a two-dimensional network structure along (100).In the title compound, [Zn(C DOI: 10.1107/S1600536811012013/zs2102Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The NiII atom is coordinated in a slightly distorted square-planar geometry by two O atoms and two N atoms from two 2-[imino(phenyl)methyl]-5-methoxyphenolate ligands. The dihedral angle between the symmetry-unique phenyl and benzene rings is 73.2 (1)°.The title complex, [Ni(C DOI: Click here for additional data file.10.1107/S1600536812043061/lh5543Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536812043061/lh5543Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The anion lies on an inversion center, while the atoms of the cation occupy general positions. An intramolecular N—H⋯N hydrogen bond is observed in the cation. In the crystal, strong N—H⋯S hydrogen bonding between the terminal sulfur atoms of the anion and the protonated amine N atoms of the cations result in a three-dimensional network.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811038657/si2373Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The tridentate ODA ligand chelates to the Cu cation in a facial configuration with a longer Cu—O bond [2.597 (3) Å], and both chelating rings display envelope conformations. In the molecule, the two pyrazole rings are twisted with respect to each other at a dihedral angle of 57.5 (3)°. Extensive intermolecular O—H⋯O and N—H⋯O hydrogen bonding is present in the crystal structure.In the title compound, [Cu(C DOI: 10.1107/S1600536811015169/xu5195Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, noncovalent interactions play an important role in the stabilization of the structure, involving O—H⋯O, N—H⋯O and weak C—H⋯O hydrogen bonds and π–π stacking interactions between the pyridine rings of the pyridine-2,6-dicarboxylate ligands [centroid–centroid distance = 3.7138 (15) Å] and between the 8-hydroxy-2-methylquinolinium cations .In the title compound, (C DOI: 10.1107/S1600536811021015/hy2430Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


All atoms are in general positions except for one Mn atom which is located on an inversion center. The framework of the structure is built up from PO4 tetrahedra and two types of MnO6 octahedra, one almost ideal and the other very distorted with one very long Mn—O bond [2.610 (4) Å compared an average of 2.161 Å for the other bonds]. The centrosymetric octahedron is linked to two distorted MnO6 octahedra by an edge common, forming infinite zigzag Mn3O14 chains running along the b axis. Adjacent chains are linked by PO4 and PO3(OH) tetrahedra through vertices or by edge sharing, forming sheets perpendicular to [100]. The Pb2+ cations are sandwiched between the layers and ensure the cohesion of the crystal structure. O—H⋯O hydrogen bonding between the layers is also observed.The title compound, Pb DOI: 10.1107/S1600536812033259/hp2043Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Na atom is seven-coordinate as it is linked to four O atoms of the same Schiff base ligand, one O atom of the methanol and two tetrafluoridoborate F atoms. The remaining two F atoms of the anion are disordered over two sites in a 0.598 (18):0.402 (18) ratio.In the dinuclear salen-type title complex, [CuNa(BF DOI: 10.1107/S160053681102842X/ng5196Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, weak intermolecular C—H⋯O hydrogen bonds link the molecules into layers parallel to (100).In the title compound, C DOI: 10.1107/S1600536810042820/cv2778Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The other Dy atom  has eleven Dy and three Ni atoms as neighbours, forming a distorted Frank–Kasper polyhedron. The coordination polyhedron of the Ni atom  is a tricapped trigonal prism formed by nine Dy atoms.The classification of the title compound, tridysprosium nickel, into the Fecard 1967. Bull. S DOI: 10.1107/S1600536813028717/wm2777Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The geometry is a distorted NiN4O2 octahedron. The formula units are connected by N—H⋯O hydrogen bonds into centrosymmetric dimers. Further N—H⋯O and O—H⋯O hydrogen bonds link the complex molecules and the perchlorate ions.In the crystal structure of the title salt, [Ni(C DOI: 10.1107/S1600536810042637/bt5383Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two and a half water molecules of hydration per complex unit are observed in the crystal structure. The compounds extend along the c axis with O—H⋯Cl, O—H⋯O, C—H⋯Cl and C—H⋯O hydrogen bonds and π–π interactions [centroid-centroid distance = 3.70 (2) Å] contributing substantially to the crystal packing. The Mn and one of the water O atoms, the latter being half-occupied, are located on special positions, in this case a rotation axis of order 2.The metal site in the title compound [MnCl DOI: 10.1107/S1600536811021805/im2285Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The mid-point of the ligand is located on an inversion center, and shows a trans conformation. The ligands link the ZnII ions, forming a chain structure along [10-1].In the title compound, [ZnCl DOI: 10.1107/S1600536812014043/hy2529Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


All aminium H atoms are involved in N—H⋯Cl hydrogen bonding, which consolidate the crystal packing along with weak C—H⋯O interactions.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811003692/cv5035Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The EuIII ion is ligated to three nitrate groups, four O atoms from the salen-type ligand and one methanol molecule, leading to a distorted tenfold coordination for the rare earth cation. One of the three nitrate anions is disordered over two positions in a 0.66 (5):0.34 (5) ratio.In the title dinuclear salen-type complex, [CuEu(C DOI: 10.1107/S1600536810039103/rk2221Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The BiIII cation is coordinated by six Cl− anions in a slightly distorted octahedral geometry. The diprotonated piperazine ring adopts a chair conformation. In the crystal, extensive intermolecular N—H⋯Cl, N—H⋯O and O—H⋯Cl hydrogen bonds occur.The crystal structure of the title compound, (C DOI: 10.1107/S1600536811045594/xu5366Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The remaining methylenehydroxy groups engage in O—H⋯O hydrogen bonding with the O atoms of adjacent molecules, leading to infinite supramolecular chains propagating in [001].In the title compound, [Sn(C DOI: 10.1107/S1600536810021872/xu2772Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The orientation/ordering of the C and N atoms of the cyanide ions could not be determined in the present refinement and they were modelled as being statistically disordered. Both copper ions are coordinated by an N,N′-bidentate phen ligand and two cyanide ligands, generating distorted tetrahedral CuN2               Q               2 (Q = C or N) tetrahedra. The μ-cyanide ligands link the metal ions, forming a zigzag chain propagating in [001]. The chains are cross-linked by numerous aromatic π–π stacking contacts between adjacent phen rings [minimum centroid–centroid separation = 3.620 (3) Å].In the title coordination polymer, {[Cu(CN)(C DOI: 10.1107/S1600536810045186/hb5723Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


These two ligand components are interlinked through a delocalized H atom within a short O⋯H⋯O hydrogen bond. Structure extension gives a two-dimensional coordination polymer which lies parallel to (001). The structure was determined from a crystal twinned by non-merohedry, with a twin component ratio of approximately 1:1.In the structure of the title polymeric complex, [Cs(C For str al. 1994, 1995 ▶;9H7O2)(C9H8O2)] = 0.071wR(F2) = 0.144S = 1.193353 reflections210 parametersH-atom parameters constrainedmax = 1.26 e Å−3Δρmin = −2.19 e Å−3ΔρCrysAlis PRO  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536814000804/wm2798Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536814000804/wm2798Isup3.cmlSupporting information file. DOI: CCDC reference:  crystallographic information; 3D view; checkCIF reportAdditional supporting information:


The compound was isolated during attempts to synthesize a mixed-ligand coordination polymer by solvothermal reaction between copper(II) nitrate and equimolar mixtures of pyrazine-2-carboxylic acid and pyridine-2-carboxylic acid in a mixture of water and EtOH. The difference in the two components of the compound is due to substitutional disorder of a CH group for one of the N atoms of the pyrazine ring which share the same site in the structure. In the crystal structure, the CuII atom lies on an inversion centre and is six-coordinated in a distorted N2O4 geometry. The carboxylate group carbonyl O atoms are weakly coordinated to an equivalent CuII atom that is translated one unit cell in the a-axis direction, thus forming a polymeric chain through carboxylate bridges.The title compound, [Cu(C DOI: 10.1107/S1600536812012378/mw2061Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


This is composed of zinc-dimer clusters capped by dimethylcarbamate ligands, which lie on crystallographic twofold rotation axes and are polymerically linked in one dimension by 2-phenylbenzimidadole (2–PBImi) organic ligands. The two Zn2+ ions defining the dimetal cluster are crystallographically independent, but display very similar coordination modes and tetrahedral geometry. As such, each Zn2+ ion is coordinated on one side by the N-donor imidazole linker, while the other three available coordination sites are fully occupied by the O atoms from the capping dimethylcarbamates. The chirality of the chain extends along the c axis, generating a rather long 52.470 (11) Å cell axis. Interestingly, the chiral material crystallizes from completely achiral precursors. A twofold axis and 31 screw axis serve to generate the long asymmetric unit.The crystal structure of the title compound, [Zn DOI: 10.1107/S1600536811053177/nk2124Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure exhibits parallel stacking of the diammonium dication in its packing arrangement, together with inorganic–organic layering that is typical of these n-alkyldiammonium salts. An intricate three-dimensional hydrogen-bonding network exists in the crystal structure where the hydrogen bonds link the cation and anion layers together through the sulfate anions and the water molecules.The crystal structure of the title compound, C DOI: 10.1107/S1600536811030030/zk2015Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811030030/zk2015Isup3.mol            Supplementary material file. DOI: 10.1107/S1600536811030030/zk2015Isup4.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The title compound crystallizes in space group C2/c while the previously reported polymorph was reported in P21/c [Baldovino-Pantaleón et al.  Å] interactions.The asymmetric unit of the title compound, [NiCl al. 2006. Adv. Sy DOI: 10.1107/S1600536811055577/fj2491Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Each CuII ion is five-coordinated in a distorted square-pyramidal geometry by one N and two O atoms from an ida ligand, one O atom from the neighbouring ida ligand and one water O atom. In the crystal, the polymeric chains are held together via intermolecular O—H⋯O and N—H⋯O hydrogen bonds.In the title compound, [Cu(C DOI: 10.1107/S1600536811041286/cv5163Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two O-bonded 4-cyanophenolate anions and a nitrosyl cation complete the coodination of the MoII atom. Two intramolecular C—H⋯O and one C—H⋯N hydrogen bonds help to establish the configuration of the complex molecule. The crystal structure is stabilized by intermolecular C—H⋯N and C—H⋯O hydrogen bonds.In the title compound, [Mo(C DOI: 10.1107/S160053681004537X/hb5724Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The center of the pyrazine ring lies on an inversion center. The nifedipine molecules are linked into chains along the c axis through N—H⋯O hydrogen bonds, while the pyrazine molecules are organized in the structure through van der Waals interactions. In the title compound, 2C DOI: 10.1107/S1600536810031703/kj2152Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CuII atom is in a Jahn–Teller-distorted octahedral environment formed by one imidazole N atom and five O atoms from three oxalate anions. The two independent oxalate anions are situated on centres of inversion and coordinate to the CuII atom in two different modes, viz. bidentate and monodentate. The bidentate anions bridge two CuII atoms, whereas the monodentate anions bridge four CuII atoms, leading to a layered arrangement parallel to (100). These layers are further linked into a final three-dimensional network structure via intermolecular N—H⋯O hydrogen bonds. The title compound is isotypic with the Zn analogue.The title compound, [Cu DOI: 10.1107/S1600536811015777/wm2473Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, weak N—H⋯Cl hydrogen bonds link the molecules into layers, while weak π–π interactions [centroid–centroid distance = 4.2758 (18) Å] also help to stabilize the packing.In the title compound, (C DOI: 10.1107/S1600536810046817/jh2229Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the cation is linked to the anion by an O—H⋯O hydrogen bond.The reaction of 8-hydroxyquinoline, 2-methylquinolin-8-ol and stannic chloride yields the protonated 8-hydroxy-2-methylquinolinium species. In the title salt, (C DOI: 10.1107/S1600536812019459/xu5531Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The coordination polyhedron about the two central Sn atoms is distorted trigonal–bipyramidal, whilst the two peripheral metal atoms bonded to the carboxylate groups have a distorted octahedral coordination geometry. In the crystal, molecules are connected by long Sn⋯O contacts [3.139 (11) Å], forming chains along [011].In the title compound, [Sn DOI: 10.1107/S1600536811023452/rz2611Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Cd atom has a distorted pentagonal–bipyramidal environment, defined by five O atoms from three different 1,3-phenylendiacetate  ligands and two N atoms from two 1,3-di-4-pyridylpropane (bpp) ligands. Each Cd2 subunit is linked to four different Cd2 subunits by four 1,3-pda ligands and four bpp ligands, forming a two-dimensional network with rhombic grids (12.50 × 12.50 Å2) extending along the ab plane.In the title compound, [Cd(C DOI: 10.1107/S1600536811041432/aa2028Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The bridging carbonyl C—C(=O)—C plane makes dihedral angles of 47.07 (6)° with the naphthalene ring system and 24.20 (10)° with the benzene ring. A weak intermolecular C—H⋯O hydrogen bond exists between the H atom of one methoxy group and the O atom of the other methoxy group in an adjacent molecule. The crystal packing is additionally stabilized by two types of weak intermolecular interactions involving the Br atom, C—H⋯Br and Br⋯O [3.2802 (14) Å].In the title compound, C DOI: 10.1107/S160053681004016X/vm2049Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, bifurcated O—H⋯ and N—H⋯O hydrogen bonds link the molecules into a three-dimensional network.In the title compound, [Fe(C DOI: 10.1107/S1600536811050835/lh5370Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination geometries of the symmetry-equivalent VV atoms are defined by cis-terminal fluoride and oxide groups, unsymmetrically bridging oxide groups and the N-atom donors of the bipyridyl ligand. The crystal packing is stabilized by weak intermolecular C—H⋯O and C—H⋯F hydrogen bonds.The title compound, [V DOI: 10.1107/S1600536810031302/om2351Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure features polymeric chains running along the b axis which are stabilized by N—H⋯N hydrogen bonds.In the title coordination polymer, [Hg(NCS) DOI: 10.1107/S1600536812016790/bt5873Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The iron atoms adopt a three-legged piano-stool geometry. All amine H atoms are involved in N—H⋯F hydrogen bonds, which consolidate the crystal packing along with weak C—H⋯O and C—H⋯F interactions.The asymmetric unit of the title compound, [Fe DOI: 10.1107/S1600536811010154/rz2564Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the chain, the Cd2+ cation is coordinated by four bridging Cl− ligands in equatorial positions and two N atoms from symmetry-related and likewise bridging 1,3-bis(imidazol-1-yl)propane ligands in axial positions, forming a distorted CdCl4N2 octahedron.The title complex, [CdCl DOI: 10.1107/S1600536812021083/wm2624Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The dihedral angle between the two chelating NCCN groups is 80.9 (1)°. The central C atom of the propane-1,3-diol solvent molecule is likewise located on a twofold rotation axis. In the crystal structure, the [Ni(SO4)(C12H8N2)2] and C3H8O2 entities are connected through intermolecular O—H⋯O hydrogen bonding.In the structure of the title compound, [Ni(SO DOI: 10.1107/S1600536810020210/wm2347Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each L ligand also lies across an inversion center and bridges two CdII ions, forming infinite two-dimensional rectangular layers running parallel to (010).In the title coordination polymer, [CdCl DOI: 10.1107/S1600536811027036/gw2103Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


There are C—H⋯O hydrogen bonds and C—H⋯π interactions and π–π interactions [centroid–centroid distance = 3.319 (1) Å] in the crystal structure.In the title compound, [Cd(NO DOI: 10.1107/S1600536811039687/jh2323Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II complex, [Zn2(C3H6NS2)4(C10H8N2)], is centrosymmetric; the mid-point of the C—C bond linking the two pyridine rings is located on an inversion center. The pyridine N atom coordinates to the ZnII cation, which is also chelated by two dimethyldithiocarbamate anions, giving a trigonal-bipyramidal ZnNS4 geometry. Weak intermolecular C—H⋯S hydrogen bonding is present in the crystal structure.The title dinuclear Zn DOI: 10.1107/S1600536810042650/xu5042Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II atom in the title compound, [CuI2(C20H14N4)], has a distorted square-pyramidal coordination formed by the N atoms of the tridentate 4′-(4-pyridyl)-2,2′:6′2′′-terpyridine (pyterpy) ligand and two I atoms; one of the I atoms is in the apical position. In contrast to other known square-pyramidal diiodido- and dibromidocopper complexes of the pyterpy ligand in which metal–halogen distances are significantly different, in the title compound the apical and equatorial Cu—I bonds are almost identical .The Cu DOI: 10.1107/S1600536810020635/ya2124Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Cd atom in the complex [Cd(Se4)2]2− anion is tetrahedrally coordinated by two chelating tetraselenide ligands, and both CdSe4 rings exhibit an envelope conformation.The title compound, (EtMe DOI: 10.1107/S1600536811007227/zl2349Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The geometry around the metal atom of the cation resembles a distorted octahedron, with each of the three di-t-Bu-bipy ligands being almost planar [deviation from planarity < 6.3 (2)°]. Supramolecular interactions, namely Mo=O⋯π, C N⋯π, C—H⋯O and C—H⋯N, along with electrostatic forces, mediate the crystal packing. Two of the tert-butyl groups are affected by rotational disorder which was modeled over two distinct positions with major site occupancies of 0.707 (9) and 0.769 (8).The asymmetric unit of the title compound, [Mo(C DOI: 10.1107/S1600536811049385/tk5024Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The pyridinium cation is connected to the complex ion by an N—H⋯O hydrogen bond and electrostatic interactions in the crystal. There are two kinds of disorder in the structure, one involving rotational disorder of a CF3 group [occupancy ratio 0.560 (15):0.440 (15)] and the other involving an exchange between a CF3 group and CH3 group within a given bidentate ligand (occupancy ratio 0.64:0.36).In the anion of the title compound, (C DOI: 10.1107/S1600536811005034/om2404Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The anion is a six-coordinated complex with a distorted CuN2O4 octahedral geometry around the CuII ion. N—H⋯O and C—H⋯O hydrogen bonds along with π–π contacts between the pyridine rings of the (2a4mpH)+ cations [centroid–centroid distance = 3.573 (2) Å] stabilize the crystal structure.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811001139/bt5449Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The organic ligand is bidentate, coordinating the ZnII atom via two imine N atoms. The benzene and pyridine rings are oriented at a dihedral angle of 10.49 (1)°. In the crystal, weak C—H⋯F and C—H⋯Br hydrogen bonds are observed.In the title complex, [ZnBr DOI: 10.1107/S1600536812031091/pv2564Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The crystal structure is stabilized by intermolecular O—H⋯N hydrogen bonds involving the coordinated water molecules and the N atoms of the tetrazolide group.In the title complex, [Mn(C DOI: 10.1107/S1600536811047428/pv2481Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811047428/pv2481Isup4.cdx            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination geometry of the CuII atom is octahedral, exhibiting a typical Jahn–Teller distortion. One trifluoromethyl group is rotationally disordered between two orientations in a 1:1 ratio.The asymmetric unit of the title compound, [Cu DOI: 10.1107/S1600536810022567/cv2732Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The complex has an approximate non-crystallographic mirror symmetry m passing through the chromium atom, two carbonyl ligands and the mid-point of the central C—C bond of the s-cis-1,3-butadiene ligand. The C—C bond lengths in the s-cis-1,3-butadiene ligand alternate, the terminal distances being shorter than the central distance.In the title complex, [Cr(C DOI: 10.1107/S1600536811004636/si2332Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the ferrocenyl moiety, the unsubstituted cyclopentadienyl ring is disordered over two orientations with site occupancies of 0.64 (2) and 0.36 (2). In the pyrrolizine ring, one C atom is disordered over two positions, with site occupancies of 0.71 (1) and 0.29 (1). Intramolecular C—H⋯O interactions occur. The crystal packing is established through weak intermolecular C—H⋯O and N—H⋯O interactions.In the title compound, [Fe(C DOI: 10.1107/S1600536810045459/im2240Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal packing is stabilized by hydrogen bonding formed between chloride ions and adjacent water molecules. One of the two independent water molecules in the asymmetric unit is disordered over two sets of sites, each on a twofold rotation axis, in a 0.734 (17):0.269 (17) ratio. In the title complex, [CoCl DOI: 10.1107/S1600536811009251/bq2282Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The conformation of the hydroxybutanoate side chain is controlled by an intermolecular hydrogen bond. The central Ni atom in the title compound, [Ni(C DOI: 10.1107/S1600536811031059/im2308Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The di-2-pyridylamine ligands are nonplanar and the dihedral angles between the 2-pyridyl groups are 29.11 (9) and 37.15 (12)°. The coordination cation, which has approximate C               2 symmetry, is connected to the bromide ion via an N—H⋯Br− hydrogen bond. The ionic pair thus formed is further assembled into a dimer via N—H⋯O interactions about an inversion centre. A set of weaker C—H⋯O and C—H⋯Br− interactions connect the dimers into a three-dimensional network.In the title compound, [Co(CO DOI: 10.1107/S1600536811008051/su2260Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


An intramolecular C—H⋯Cl interaction occurs. The crystal packing is stabilized by intermolecular N—H⋯Cl hydrogen bonds, which form an extended chain parallel to [010].In the title complex, [CuCl(C DOI: 10.1107/S1600536811017752/jh2287Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The average of the four Ru—Cl bond lengths is 2.355 (15) Å, and the Ru—S and Ru—N bond lengths are 2.2853 (3) and 2.1165 (11) Å, respectively. The complex forms a chain, with a six-coordinate sodium ion bridging the ruthenium(III) units. The sodium cation is coordinated by cis-chloride ligands on ruthenium [Na—Cl = 2.9576 (7) and 2.6988 (7) Å], chloride and DMSO ligands from the ruthenium complexes related by inversion , a nitrogen ligand from the pyrimidine of the tetrachloridoruthenium(III) complex related by the twofold rotation axis [Na—N = 2.5224 (14) Å] and an oxygen-bound DMSO [Na—O = 2.3165 (12) Å]. The title complex, [NaRuCl DOI: 10.1107/S1600536811017211/om2427Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, π–π contacts between the pyridine and benzene rings  stabilize the structure.In the molecule of the title compound, [CdBr DOI: Click here for additional data file.10.1107/S1600536812050106/hy2608Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The TbIII atom displays a dodecahedral geometry, while the MoV ion exhibits a distorted square-antiprismatic geometry. The Tb atoms are located on a special position of site symmetry In the title compound, [Tb(C DOI: 10.1107/S1600536811020022/bt5505Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


An intramolecular O—H⋯O hydrogen bond occurs. In the crystal, intermolecular N—H⋯O and O—H⋯O hydrogen bonds form a three-dimensional network, which consolidates the packing.In the title compound, [Fe(C DOI: 10.1107/S1600536811024779/cv5111Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination geometry around the CuII atom can be described as distorted elongated octahedral with Rout = 2.277 (2) Å, Rin = 2.052 (2) Å and a tetragonality of 0.9011, acquiring a ‘static’ stereochemistry. In the supramolecular network, there are intermolecular C—H⋯F and C—H⋯N interactions with R33(16), R22(7), R12(4), R33(16) and C32(7) motifs that lead to an infinite three-dimensional network.In the title compound, [Cu(C DOI: 10.1107/S1600536812028267/ru2037Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The RhI atom is displaced from the plane through these surrounding atoms by 0.0085 (2) Å. The dihedral angle between the benzene ring and the N—C—C—C—O plane is 89.82 (6)°, and the N—Rh—O bite angle for the bidentate ligand is 90.53 (6)°. An intermolecular C—H⋯O interaction is observed between a methyl group of the benzene ring and a carbonyl O atom.In the title compound, [Rh(C DOI: 10.1107/S1600536812017175/hy2537Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the structure, one of two Mn atoms is located on an inversion centre, whereas all others atoms are located in general positions. The framework structure is built up from two types of MnO6 octahedra , one PO3OH and one PO4 tetrahedron. The centrosymmetric MnO6 octahedron is linked to two other MnO6 octahedra by edge-sharing, forming infinite zigzag chains parallel to [010]. The PO3OH and PO4 tetrahedra connect these chains through common vertices or edges, resulting in the formation of sheets parallel to (100). The Sr2+ cation is located in the interlayer space and is bonded to nine O atoms in form of a distorted polyhedron and enhances the cohesion of the layers. Additional stabilization is achieved by a strong interlayer O—H⋯O hydrogen bond between the PO3OH and PO4 units. The structure of the title phosphate is isotypic to that of Pb2Mn3(HPO4)2(PO4)2.The title compound, Sr DOI: 10.1107/S1600536813018898/wm2758Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Doubly bridging admt ligands connect two ZnII atoms, forming a centrosymmetric dimer. Weak N—H⋯I and C—H⋯I hydrogen bonds play an important role in the intermolecular packing.In the title compound, [Zn DOI: 10.1107/S160053681004852X/zl2313Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two H2mbidc ligands bridge two ZnII atoms, generating a double-chain along [In the title compound, {[Zn(C DOI: 10.1107/S1600536811006532/hy2396Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The pyrazole rings have a 21.09 (5)° angle between their mean planes and exhibit a trans-like geometry in which the in-plane lone pairs of electrons on the 2-N nitrogen atoms point in opposite directions. The title compound, C DOI: 10.1107/S1600536812032801/zq2175Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812032801/zq2175Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The structure is composed of an [Fe2(C2H5S)(S)(CO)6] subcluster, which is linked to its counterpart by an inversion centre located at the mid-point of the central disulfide bond. The Fe2S2 core of each subcluster exhibits a butterfly-like shape, with two S atoms bridging two Fe atoms. In the subcluster, each Fe atom is coordinated in a distorted octahedral coordination by three terminal carbonyl C atoms, two S atoms and one Fe atom. The crystal packing is accomplished through van der Waals interactions.Next to the monoclinic polymorph [Cheng  al. 2005. Acta Cr DOI: 10.1107/S1600536811017405/wm2485Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angles between the two phenyl rings and the naphthalene ring system are 71.82 (6) and 71.58 (6)°. In the crystal, intermolecular C—H⋯O interactions between the carbonyl oxygen and aromatic hydrogen are observed.In the title compound, C DOI: 10.1107/S1600536810039620/om2367Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


There are C—H⋯O hydrogen bonds and π–π interactions [centroid–centroid distance = 3.487  (3) Å] in the crystal structure. The perchlorate anion is disordered over two positions with an occupancy ratio of 0.628 (9):0.372 (9). In the crystal structure of the title compound, [Cu(HCO DOI: 10.1107/S1600536811039675/jh2326Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


This complex crystallizes with a distorted tetrahedrally coordinated ZnII atom that diposes the two nacnac ligands approximately orthogonally to one another [angle between the two N—Zn—N mean planes is 89.91 (10)°], with average Zn—N bond lengths of 1.992 (4) Å.The title compound, [Zn(C DOI: 10.1107/S1600536812007878/wm2594Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The bbi and dpdc ligands bridge the ZnII ions, forming layers parallel to (011). O—H⋯O and O—H⋯N hydrogen bonds and π–π interactions between the imidazole rings [centroid–centroid distance = 3.807 (5) Å] connect the layers. Two of the three uncoordinated water molecules are disordered, each over two 0.25-occupancy positions.In the title coordination polymer, {[Zn(C DOI: 10.1107/S1600536811039481/hy2452Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The 4,4′-bpy ligand has an inversion center at the mid-point of the central C—C bond. The PbII atoms are linked by bidentate bridging 4,4′-bpy into a chain along [101]. These chains are further connected into layers via C—H⋯O hydrogen bonds.In the title complex, [Pb(C DOI: 10.1107/S1600536811035021/hy2458Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The polyanion has approximate C               v2 symmetry. The two Pt-bound μ2-O atoms are protonated in the polyanion. The heteropolyanions form inversion-generated dimers, {[H2PtV9O28]2}10−, held together by each of the two μ2-O—H⋯μ2-O and μ2-O—H⋯μ3-O hydrogen bonds. The guanidinium cations are hydrogen bonded with the μ2- and terminal O atoms of the polyanion, connecting the polyanions into a three-dimensional network.The title compound, (CH DOI: 10.1107/S1600536811049166/zl2427Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Ni2+ ion is in a distorted octahedral coordination by six N atoms from three chelating 2,2′-bipyridine ligands. The Lindqvist-type anion exhibits the characteristic Mo—O bond-length distribution, with the shortest bonds being the Mo—O bonds [mean = 1.679 (2) Å] and the longest being those to the central O atom [mean = 2.318 (7) Å]. A number of C—H⋯O interactions contribute to the crystal packing.The asymmetric unit of the title compound, [Ni(C DOI: 10.1107/S1600536810032058/wm2381Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Mg2+ ions are bonded to a chelating N,N′-bonded guanidinate anion, a tetrahydrofuran molecule and two bridging chloride anions. The geometry of the resulting five-coordinated Mg2+ ion is a very distorted square-based pyramid with the O atom in the apical position.The dinuclear title complex, [Mg DOI: 10.1107/S1600536811023865/hb5890Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536812035362/tk5138Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812035362/tk5138Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The PbII atom is surrounded by four O atoms and one N atom in a Ψ-octahedral PbO4NE geometry (E is the electron lone pair). Two longer Pb⋯O interactions distort the geometry towards a Ψ-square-antiprism. Intermolecular O—H⋯O hydrogen bonds link the molecules.In the centrosymmetric dinuclear title compound, [Pb DOI: 10.1107/S1600536811002509/bt5469Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


All three N atoms coordinating to the TiIV atom adopt planar environments , which is indicative of pπ–dπ donation from all of these N atoms to the metal and, thus, of the formal 18 e− nature of the complex. The overall coordination about the TiIV atom is distorted tetrahedral, assuming the cyclopentadienyl ring occupies one coordination site. The Ti—Nimidazole amide-type bond is longer by approximately 0.16 Å than the other two Ti—Namide bonds.The chemically achiral title molecule, [Ti(C DOI: 10.1107/S1600536811012396/wm2469Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit consists of half a complex molecule with the Mn3+ cation, the thiocyanate anion and the pyridine ligand located on a mirror plane. The acetylacetonate anion is in a general position. The title compound was previously described  but could only be obtained as a powder. Suitable crystals have now been obtained for a high-precision single-crystal structure determination.In the crystal structure of the title compound, [Mn(C al. 1975. Inorg.  DOI: 10.1107/S1600536813030407/bt6942Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


II atom in the title salt, [CuBr(C6H10N2)4]Br, is coordinated in a square-pyramidal geometry by four imidazole N atoms and one bromide anion that is located at the apex of the pyramid. The cations and the anions form a two-dimensional network parallel to (001) through N—H⋯Br hydrogen bonds.The Cu DOI: 10.1107/S1600536811035215/ng5221Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials: