The methyl groups are trans to each other in the octahedron surrounding the metal atom [C—Sn—C = 176.61 (12)°].In the title compound, [Sn(CH DOI: 10.1107/S1600536811001735/bt5462Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The complete cation is generated by crystallographic twofold symmetry, with the V atom lying on the rotation axis. The unusual ligand arose from nucleophilic attack on the coordinated nitrile by the thiolate precursor and reduction of nitrile to the imidate.In the title compound, [N(C DOI: 10.1107/S1600536810022014/hb5425Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the two cyclopenta-1,3-diene rings of the ferrocene unit is 2.2 (2)°. The molecules are stabilized by intermolecular O—H⋯O hydrogen-bonding interaction within the crystal lattice.In the title compound, [Fe(C DOI: 10.1107/S1600536811000766/pb2052Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II atom in the title compound, [Cd(C5H10NS2)2(C10H8N2)], exists in an N2S4 donor set defined by two chelating dithiocarbamate anions as well as a 2,2′-bipyridine ligand. The coordination geometry approximates a trigonal prism. The crystal packing features weak C—H⋯S interactions, leading to linear supramolecular chains along the a axis. The primary connections between these are by π–π stacking interactions [ring centroid distance between centrosymmetrically related pyridyl rings = 3.7455 (10) Å]. Overall, the crystal structure may be described as comprising double layers of molecules that stack along the b axis.The Cd DOI: 10.1107/S1600536811012414/hb5834Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Na+ ion is six-coordinated by four O atoms from the two ligands and two F atoms of two tetrafluoridoborate anions. The tetrafluoridoborate anion links the Na+ ions, forming a one-dimensional structure along [001]. Three F atoms of the tetrafluoridoborate anion are disordered over two sets of sites, with an occupancy ratio of 0.790 (11):0.210 (11).In the title heterodinuclear complex, [CuNa(BF DOI: 10.1107/S1600536811051713/hy2490Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The N-heterocyclic carbene ligand has an extended S-shaped conformation. The butyl group was refined using a two-part 1:1 disorder model. In the crystal, three unique weak C—H⋯Cl contacts are present. Two of these form a motif described as R21(6) in graph-set notation, while a third forms an R22(8) motif about a crystallographic inversion center. The result is a chain structure which extends parallel to the crystallographic a axis.In the title compound, [IrCl(C N-heterocyclic carbene (NHC) ligands, see: Gusev (C17H25N3)] = 0.025wR(F2) = 0.059S = 1.036993 reflections313 parameters106 restraintsH-atom parameters constrainedmax = 1.33 e Å−3Δρmin = −1.83 e Å−3ΔρAPEX2  used to solve structure: SHELXTL  I, global. DOI: 10.1107/S1600536812000992/fj2494Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812000992/fj2494Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The [TcO2(CN)4]3−                trans-tetracyanidodioxidotechnetate anion has a slightly distorted octahedral configuration. The Tc atom is located on a center of inversion and is bound to two O atoms in axial and to four cyanide ligands in equatorial positions. The Tc—O distance is consistent with a double-bond character. The two potassium cations, one located on a center of inversion and one in a general position, reside in octahedral or tetrahedral environments, respectively. K⋯O and K⋯N interactions occur in the 2.7877 (19)–2.8598 (15) Å range.The structure of the title compound, tripotassium  DOI: 10.1107/S1600536810028205/wm2375Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The amino group is nearly coplanar with the 1,2,4-triazole ring [interplanar angle = 4.08 (8)°] and has a slightly pyramidal configuration. The mean planes of the triazole ring and the benzene ring of the phenacyl group form a dihedral angle of 88.58 (7)°. In the crystal, N—H⋯Br, N—H⋯O and O—H⋯Br hydrogen bonds link the cations, anions and ethanol molecules into layers parallel to the bc plane.In the title compound, C DOI: 10.1107/S1600536813025853/aa2095Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813025853/aa2095Isup3.cdxSupplementary material file. DOI: Click here for additional data file.10.1107/S1600536813025853/aa2095Isup4.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The linear molecule L acts as a bidente bridging ligand, connecting the metal atoms into a chain along [101].In the title compound, [Cu(CHO DOI: 10.1107/S1600536811024019/rn2086Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The methyl-bearing C atom in the cyclopentane ring is disordered over two positions with a site-occupation factor of 0.899 (8) for the major occupied site.The exocyclic C=C double-bond in the title compound, C DOI: 10.1107/S1600536811033708/bt5619Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811033708/bt5619Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CoIII—N bond lengths lie in the range 1.956 (4)–1.986 (4) Å. In the anion, the InIII atom is seven-coordinated by six O atoms from three oxalate ligands and by a water molecule. The cations and anions are linked by extensive O—H⋯O and N—H⋯O hydrogen bonds, forming a supermolecular network.In the cation of the title compound, [Co(C DOI: 10.1107/S1600536811053736/fj2490Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The molecule exhibits a ruffled macrocycle with an average deviation of the 24 macrocycle atoms from their least-squares plane (Δ24) of 0.26 Å and an average Ni—N bond length of 1.931 (2) Å. In line with the asymmetrical substituent pattern, the degree of distortion is slightly larger at point of attachment of the methoxy(phenyl)methyl residue than at the unsubstituted meso position. The methoxy group attached to the chiral C atom is disordered in a 0.534 (4):0.466 (4) ratio.The title compound, [Ni(C DOI: 10.1107/S1600536811002960/go2001Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CuII ion is pentacoordinated in a quadratic pyramidal mode. The quadratic plane is formed by the O,O′,N-tridentate ligand and a pyridine molecule. The fifth coordination site is occupied by the O atom of another ligand showing a significantly longer Cu—O bond.The crystal structure of the title complex, [Cu For further details of the chemistry of the title compound, see: Salem 1998. For a r2(C15H10Cl2N2O2)2(C5H5N)2] = 0.026                           wR(F                           2) = 0.064                           S = 1.02                           3411 reflections255 parametersH-atom parameters constrainedmax = 0.22 e Å−3                        Δρmin = −0.23 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536811050720/bt5720Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each terephthalate ligand acts as a bis-monodentate ligand that binds two CuII atoms, thus forming two unique chains extending parallel to [110]. The imidazole ligands are attached on both sides of the chains.In the title compound, [Cu(C DOI: 10.1107/S1600536811024822/jh2303Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The five-membered ring adopts a distorted envelope conformation with PdII as the flap atom, while the six-membered ring forms a slightly twisted screw-boat conformation. A slightly distorted screw-boat form of a methoxyphenyl group is fused to the six-membered ring. Weak C—H⋯O interactions form dimers in the asymmetric unit and along [001] which help to stabilize the crystal packing.In the title compound, [Pd(C DOI: 10.1107/S1600536813023040/bv2224Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Fe—N bond length is 1.924 (3) Å and the Fe—Cp* centroid distance is 1.722 Å.In the structure of the title compound, [Fe{η DOI: 10.1107/S1600536811021350/hg5040Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The deprotonated PAA ligands are coordinated to the GdIII atom either as chelating on the same metal or in a tridentate bridging mode. Numerous O—H⋯O and O—H⋯N hydrogen bonds involving hydroxyl, coordinated and uncoordinated water molecules build up an intricate three-dimensional network.In the dinuclear title complex, [Gd DOI: 10.1107/S1600536810041255/dn2609Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The sum of the bond angles at the NiII atom is 358.68 (6)°, with C—Ni—P bite angles of 82.89 (5) and 84.08 (6)°. The two carbene rings make a dihedral angle of 52.65 (8)°.The molecular structure of the title compound, [Ni(C DOI: 10.1107/S1600536812028784/bt5955Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The fumarate ligand lies on an inversion center. Adjacent SmIII ions are bridged by the maleate and fumarate ligands, forming a layer parallel to (011). The layers are further linked by intermolecular O—H⋯O hydrogen bonds into a three-dimensional supramolecular network.In the title coordination polymer, {[Sm DOI: 10.1107/S1600536810045204/hy2363Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit consists of three crystallographically independent CoII cations, six thiocyanate anions and six coordinating bpe ligands in general positions. Additionally, three non-coordinating bpe ligands are present in the asymmetric unit with two of them located on a center of inversion. The CoII cations are connected by the bpe ligands into layers parallel to the bc plane. The crystal investigated was non-merohedrically twinned, with a fractional contribution of 0.261 (2) for the minor domain.In the crystal structure of the title compound, [Co(NCS) DOI: 10.1107/S1600536812019009/bt5886Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The cations are arranged in a head-to-tail fashion and form stacks along [100]. The central CuII atom of the anion is in a distorted tetrahedral environment.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811012840/gk2356Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two L ligands coordinate the GdIII ion in a monodentate mode, while the third coordinates it in a bidentate–chelating coordination mode. An extensive three-dimensional O—H⋯O hydrogen-bonding network consolidates the crystal packing.In the title compound, [Gd(C DOI: 10.1107/S1600536811016163/cv5069Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Eight CeIII ions and twelve pda ligands form a large [Ce8(pda)12] ring, and four CeIII ions and six pda ligands form a small [Ce4(pda)6] ring. The rings are further connected by the coordination interactions of pda ligands and CeIII, generating a three-dimensional supramolecular framework.In the title coordination polymer, [Ce DOI: 10.1107/S1600536811003801/pv2385Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The resulting coordination polyhedron is a near regular ZnN2O3 trigonal bipyramid, with the N atoms in axial sites. The 4,4′-bpy molecules [dihedral angle between the aromatic rings = 17.2 (2)°] act as bridges, connecting the metal ions into an infinite polymeric chain propagating in [In the title coordination polymer, {[Zn(C DOI: 10.1107/S1600536811016424/hb5859Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The hydroxy group of the hydroxyacetate ligand links with the counter NO3               − anion via a pair of bifurcated O—H⋯O hydrogen bonds. The centroid–centroid distance of 3.5676 (14) Å between benzene rings of parallel phen ligands of adjacent molecules suggests the existence of π–π stacking. Weak intermolecular C—H⋯O hydrogen bonding is also present in the crystal structure.In the title compound, [Cu(C DOI: 10.1107/S1600536811013110/xu5175Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Eu atom is in a pseudo-bicapped square-antiprismatic geometry, formed by four N atoms from two chelating 1,10-phenanthroline (phen) ligands and by six O atoms, four from two 2,6-dihydroxybenzoate (DHB) ligands and the other two from a nitrate anion. π–π stacking interactions between phen and DHB ligands [centroid–centroid distances = 3.5312 (19) and 3.8347 (16) Å], and between phen and phen ligands [face-to-face separation = 3.433 (4) Å] of adjacent complexes stabilize the crystal structure. Intramolecular O—H⋯O hydrogen bonds are observed in the DHB ligands.The title mononuclear complex, [Eu(C DOI: 10.1107/S1600536810047148/su2227Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The thiophene ring is rotationally ordered, unlike in the majority of crystal structures containing this group.In the title compound, [Pd(CH Cl(C24H20NPS)] = 0.024wR(F2) = 0.062S = 1.114048 reflections272 parametersH-atom parameters constrainedmax = 0.50 e Å−3Δρmin = −0.44 e Å−3ΔρAPEX2  I, New_Global_Publ_Block, global. DOI: 10.1107/S1600536812007295/lh5417Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The CuII atoms are bridged by isophthalate and 3-carboxybenzoate ligands, forming a chain structure along the b axis. Furthermore, the chains are linked by O—H⋯O hydrogen bonds, forming a layer parallel to the ab plane.In the title compound, [Cu DOI: 10.1107/S1600536811008993/is2675Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The metal center is coordinated by six O atoms from four 5-chlorosalicylate ligands and two N atoms from a chelating phenanthroline ligand. The polymeric structure is built up from bridging carboxylate O atoms, forming chains along [100]. The crystal structure is stabilized by π–π interactions between the 1,10-phenanthroline and 5-chlorosalicylate ligands, the shortest centroid–centroid separation between neighbouring aromatic rings being 3.652 (1) Å.In the title polymer, [Pb(C DOI: 10.1107/S1600536810023561/bh2289Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The geometry around the CuII ion is distorted square-planar, which is defined by the N2O2 donor atoms of the coordinated Schiff base ligand. The dihedral angle between the symmetry-related substituted benzene rings is 25.33 (14)°. The crystal structure is stabilized by an intermolecular π–π interaction [centroid–centroid distance = 3.8891 (18) Å].In the title compound, [Cu(C DOI: 10.1107/S1600536812009397/bv2199Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The conformation of the first P2O7 group is eclipsed, whereas that of the second is staggered. All atoms are in general positions except for two nickel and one potassium ions which lie on symmetry centers. Moreover, the structure exhibits disorder of the cationic sites with one general position fully occupied equally by Na+ and Ni2+ cations. This mixed site is surrounded by five O atoms forming a square-based pyramid. The crystal structure consists of edge-sharing [NiO6] octahedra forming infinite zigzag chains [Ni3O14] running parallel to [100]. Adjacent chains are connected through apices to P2O7 groups and to another [NiO6] or to a [KO6] octahedron. The resulting three-dimensional framework presents intersecting tunnels running along the [010] and [001] directions in which the seven- and nine-coordinated potassium cations are located. The crystal structure of this new phosphate represents a new structural type.The structure of the title compound, NaK DOI: 10.1107/S160053681202017X/br2200Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


This phase, whose composition was confirmed by ICP analysis, is isotypic with the alluaudite-like phosphates, thus it exhibits the (A2)(A′2)(A1)(A′1)(A′′1)(M1)(M2)2(PO4)3 general formula. The site occupancies led to the following cation distribution: 0.53 K on A′2 (site symmetry 2), 0.31 Mn on A′′1, 1.0 Mn on M1 (site symmetry 2) and (0.62 Fe + 0.38 Mn) on M2. The structure is built up from infinite chains of edge-sharing M1O6 and M2O6 octahedra. These chains run along , which are partially occupied by the K+ and Mn2+ cations.During an attempt to crystallize potassium manganese diiron phosphate KMnFe DOI: 10.1107/S1600536810051238/br2150Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intermolecular N—H⋯O hydrogen bonding forms a one-dimensional motif parallel to the cell ab diagonal.In the title complex, [Co(NCS) DOI: 10.1107/S1600536811029060/qm2016Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


IV atom in the title diorganotin dithiocarbamate, [Sn(C4H9)2Cl(C10H12NS2)], is pentacoordinated by an asymmetrically coordinating dithiocarbamate ligand, a Cl 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. In the crystal structure, C—H⋯π contacts link centrosymmetrically related molecules into dimeric aggregates.The Sn DOI: 10.1107/S1600536811006398/zs2099Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The quaternary C atoms of the complexed arene ring are located at the longest distance from the Fe atom, with Fe—C distances of 2.112 (4) and 2.105 (3) Å, which are slightly longer than the average Fe—C distance for this ring (2.083 Å). The Fe ion is located 1.660 (1) and 1.543 (1) Å, respectively, from the cyclopentadienyl and the complexed arene ring.At 296 (2) K, both complexed rings in the iron(II) complex cation of the title salt, [Fe(C DOI: 10.1107/S1600536810033179/si2288Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Additionally, the [{Cp(CO)3Mo}PbAc] units are linked along [100] by Pb—O(acetate) interactions, giving a ladder-type polymeric structure composed of PbCO2 and Pb2O2 four-membered rings. The {Cp(CO)3Mo} units attached to the PbII atom occupy terminal positions at opposite sides of the slightly puckered lead acetate chain. The angle between the Pb—Mo bond vector and the central chain plane is 67.8 (2)°.In the title compound, [MoPb(C DOI: 10.1107/S1600536812024737/wm2639Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The 2-phenylpyridine ligands are not planar, the dihedral angles between the pyridine and benzene rings being 50.1 (2) and 45.7 (2)°. An intermolecular π–π interaction between the six-membered rings is present, the ring centroid–centroid distance being 3.898 (4) Å.In the title complex, [PdI DOI: 10.1107/S1600536811055425/is5038Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The central CuII atom exhibits a distorted square-planar coordination geometry, defined by two O atoms, one N atom from the ligand and one pyridine N atom with Cu—N distances of 1.874 (4) and 1.963 (4) Å, while the Cu—O distances are 1.857 (3) and 1.890 (3) Å. An intramolecular O—H⋯N interaction occurs.The mononuclear title complex, [Cu(C DOI: 10.1107/S1600536810047719/bx2325Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CuII atom shows a distorted square-planar geometry. The dihedral angle between the two aromatic rings is 48.16 (13)°. The crystal structure is stabilized by intermolecular O—H⋯O and C—H⋯O hydrogen bonds and intermolecular π–π interactions with centroid–centroid distances in the range 3.485 (2)–3.845 (3) Å.The asymmetric unit of the title compound, [Cu(C DOI: 10.1107/S1600536810053183/jh2247Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal packing is stabilized by N—H⋯Cl hydrogen bonds, forming a layered arrangement parallel to (1-10). In the title compound, [CoCl(C DOI: Click here for additional data file.10.1107/S1600536813004650/bt6888Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The N2S4 donor set about Zn is defined by two symmetrically chelating dithiocarbamate ligands and a 1,10-phenanthroline ligand. Distortions from the ideal octahedral coordination geometry arise from the restricted bite angles of the ligands. The main feature of the crystal packing is the formation of tetrameric supramolecular aggregates mediated by C—H⋯S interactions. Disorder was found in each of the sec-butyl groups. This was resolved over two positions in each case with the major components of the disorder having site occupancies in the range 0.551 (6)–0.725 (5).Two independent but very similar molecules comprise the asymmetric unit of the title compound, [Zn(C DOI: 10.1107/S1600536810033672/bt5329Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The fundamental building units of the structure are LiO4 polyhedra , and the Li/Eu atoms are coordinated by eight O atoms in a distorted square-antiprismatic manner.The title compound, Li DOI: 10.1107/S1600536812000268/ru2018Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Both the cation and the anion lie on twofold axes which pass through the central N atom in the cation and through the SnIV atom in the anion. In the crystal, the ions interact only through a weak interaction between the Cl atom of the anion and an H atom of a phenyl ring of the cation.The structure of the title compound, [Ph DOI: 10.1107/S1600536811035422/su2296Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811035422/su2296Isup3.mol            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The AlIII and NbV atoms occupy the same site on the 6 octahedra and PO4 tetrahedra (. 2 symmetry), which are further interlocked by corner-sharing O atoms, leading to a three-dimensional framework structure with infinite channels along the a axis. Single crystals of the title compound, aluminium niobium triphosphate, Al DOI: 10.1107/S1600536811003886/fj2384Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The HL ligands chelate with a strong Sm—O(deprotonated phenolic) bond and a weak Sm—O(methoxy) contact. The latter can be interpreted as the apices of the bicapped square-antiprismatic SmIIIO9 polyhedron. The Schiff base ligands are in a zwitterionic state with the phenolic H atom transferred to the imine N atom. O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds lend stability to the structure. One O atom of one nitrate group is equally disordered over two positions.The asymmetric unit of the title compound, [Sm(NO DOI: 10.1107/S1600536811000407/bv2165Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The carboxylate group is almost perpendicular to the pyran ring [89.4 (1)°].In the title compound, C DOI: 10.1107/S1600536810054036/bx2338Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, intermolecular O—H⋯O, N—H⋯O and weak C—H⋯O hydrogen bonds, as well as π–π stacking interactions between the pyridine rings of the pydc ligands [centroid–centroid distance = 3.4714 (14) Å] are present. C=O⋯π interactions between the carbonyl groups and pyridine rings [O⋯centroid distances = 3.150 (2) and 3.2233 (19) Å] are also observed.In the title compound, (C DOI: 10.1107/S1600536811024378/hy2413Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Both types of DCT ligands act as bridging, forming a one-dimensional polymeric structure propagating parallel to [10In the title compound, {(C DOI: 10.1107/S1600536810051366/lh5182Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The binuclear anion exhibits a pseudo-threefold symmetry and contains two six-coordinate Mn atoms. Each metal atom is coordinated by three facially oriented CO ligands and three doubly-bridging phenolate ligands. The average O—Mn—O bond angle is 74.9 (7)° in the Mn2O3 metal–phenolate dimeric core, yielding a distorted octahedron for each metal.The title compound, (C DOI: 10.1107/S1600536811029266/bg2415Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is stabilized by N—H⋯O, C—H⋯O and C—H⋯Cl hydrogen bonds and π–π stacking interactions [centroid–centroid distance = 3.5469 (16) Å] between the pyridyl and benzene rings. The shortest Ag⋯Ag distance is 3.2574 (5) Å.In the title compound, [Ag(C DOI: 10.1107/S1600536810025511/zl2286Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the pyridine rings of the Schiff base is 54.39 (18)°. In the crystal, the components are linked by C—H⋯F interactions.In the title compound, [CuBr(C For a related structure and background references, see: Liu 2011.       17H20N4)]BF4                         = 0.038                           wR(F                           2) = 0.087                           S = 1.05                           3683 reflections255 parametersH-atom parameters constrainedmax = 0.39 e Å−3                        Δρmin = −0.46 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536811022513/hb5900Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The H atom of the hydroxy group is located nearer to an isopropoxy group with the longest Sn—O bond [2.1789 (17) Å].The binuclear centrosymmetric title compound, [Sn DOI: 10.1107/S1600536812007799/hy2517Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812007799/hy2517Isup3.molSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The cyclopentyl ring in L is disordered over two conformations in a 0.640 (19):0.360 (19) ratio.In the title compound, [Co(C DOI: 10.1107/S1600536811002194/cv5039Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


N—H⋯O hydrogen-bonding interactions between the NH3               + substituents of the 4-fluoroanilinium cations and the O atoms of the crown ether molecules result in a rotator–stator-like structure.The reaction of 4-fluoroaniline hydrochloride, 18-crown-6 and ferric chloride in methanolic solution yields the title compound, (C DOI: 10.1107/S160053681002009X/im2203Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the mononuclear complexes are linked by N—H⋯Cl hydrogen bonds into a two-dimensional network in the ab plane.In the title compound, [CdCl DOI: 10.1107/S160053681201104X/su2390Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The seven-membered ring adopts a distorted half-chair conformation.In the crystal structure of the title compound, C DOI: 10.1107/S1600536810052888/bt5422Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536813025464/hp2061Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The two aromatic rings are essentially planar with the same maximum deviation of 0.009 Å. The mean planes of the phenyl and cyclopentadienyl rings bisect at an acute angle of 50.08°.The title compound, [Fe(C DOI: 10.1107/S160053681101511X/dn2676Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The PtIV atom in each complex cation exhibits a distorted octahedral coordination geometry, built up by three methyl ligands in a facial binding fashion, a bipyridine ligand and a monodentately N-bound 2-methylsulfanyl-2-thiazoline ligand (configuration index: OC-6–33). In the crystal structure, weak intermolecular C—H⋯F hydrogen bonds are found between the complex cations and BF4               − anions.The asymmetric unit of the title complex, [Pt(CH DOI: 10.1107/S1600536810027546/hy2325Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The [ZnCl4]2− anions have a distorted tetrahedral geometry. Weak intermolecular π–π stacking interactions exist between neighbouring aromatic rings of the cations with a centroid–centroid distance of 3.712 (7) Å.The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811005691/cv5049Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The N—Si—N angle is 113.9 (3)°. The crystal packing exhibits no short intermolecular contacts.In the title iron(II) complex, [Fe(C II complexes with N-donor ligand and utility in fixation of dinitrogen, see: Smith et al. Cl(C6H16N2)] = 0.060wR(F2) = 0.190S = 1.024222 reflections226 parameters14 restraintsH-atom parameters constrainedmax = 0.71 e Å−3Δρmin = −0.65 e Å−3ΔρSMART  used to solve structure: SHELXS97  I, global. DOI: Click here for additional data file.10.1107/S1600536812044741/cv5351Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


DOI: 10.1107/S1600536810025225/hb5520Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


These two Zn atoms exhibit different coordination environments: a distorted coordination intermediate between trigonal–pyramidal, and square–pyramidal formed by the two coordinated dimethylformamide molecules and three carboxylate groups, and a distorted tetrahedral coordination defined by carboxylate groups of which three are bidentate bridging and the fourth is a monodentate ligand. Thus, each ligand connects four MBBs, forming the three-dimensional polymer.In the crystal structure of the title coordination polymer, {[Zn DOI: 10.1107/S1600536811037056/kp2331Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CuII atom is in a distorted octahedral coordination geometry defined by four O atoms derived from four bridging acetate ligands, a terminally connected pyrimidine N atom and a Cu atom.The complete dinuclear molecule of the title complex, [Cu N-donor)copper] complexes, see: Fairuz et al. (2010a            b                     For structures of related examples of tetrakisacetatobis[(2(C2H3O2)4(C10H8N2O)2] = 0.056                           wR(F                           2) = 0.175                           S = 1.08                           2581 reflections201 parametersH-atom parameters constrainedmax = 1.83 e Å−3                        Δρmin = −0.55 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536811044345/hg5123Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal structure, intermolecular I⋯N interactions [3.099 (4) Å] link hydrogen-bonded aggregates of the hydrozone and solvent molecules related by translation along the b axis into chains. An intramolecular O—H⋯N hydrogen bond forms an S(6) ring.In the hydrazone molecule of the title compound, C DOI: 10.1107/S1600536811020770/cv5102Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811020770/cv5102Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The equatorial plane is defined by two chelating chloroacetate ligands with asymmetrical Sn—O bond lengths, while the axial positions are occupied by the C atoms of two 2-fluorobenzyl groups. In the crystal, infinite chains in the [010] direction are formed through intermolecular Sn⋯O interactions [Sn⋯O separation = 3.682 (3) Å].In the title complex, [Sn(C DOI: 10.1107/S1600536811051002/bh2395Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Ho+3 cation lies on a fourfold roto-inversion axis. It is coordinated in a distorted square anti-prismatic fashion by eight O atoms from bridging pyrazine N,N′-dioxide ligands. There are two unique pyrazine N,N′-dioxide ligands. One ring is located around an inversion center, and there is a a twofold rotation axis at the center of the other ring. There are also two unique perchlorate anions. One is centered on a twofold rotation axis and the other on a fourfold roto-inversion axis. The perchlorate anions are located in channels that run perpendicular to (001) (110) and interact with the coordination network through C—H⋯O hydrogen bonds.The title three-dimensional coordination network, {[Ho(C DOI: 10.1107/S1600536810031831/zl2300Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The tris(N-methylbenzimidazol-2-ylmethyl)amine ligand is in a tetradentate mode while a coordinated water molecule and a dimethylformamide ligand complete the coordination. In the crystal structure, intermolecular O—H⋯O hydrogen bonds link the cation and one of the pictrate anions into four-component centrosymmetric clusters.In the title complex, [Ni(C DOI: 10.1107/S1600536810029181/lh5085Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The structure exhibits disorder in one of the ethyl chains, which was refined using a two-site model with 0.70 (6):0.30 (6) occupancy.In the title complex, [Co(NCS) DOI: 10.1107/S1600536812021988/ez2290Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, N—H⋯S and N—H⋯F intermolecular hydrogen bonds link the molecules into infinite sheets that are stacked along the c axis.In the title compound, C DOI: 10.1107/S1600536810020246/pb2028Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The tetranuclear molecule features a three-rung-staircase Sn4O4 core in which two independent SnIV atoms are bridged by the triazolide group. The negatively charged N atom of the triazolide group binds to the terminal Sn atom at a shorter distance   compared with the neutral N atom that binds to the central Sn atom[Sncis-C3SnNO trigonal–bipyramidal environment, whereas the central Sn atom is six-coordinate in a C2SnNO3 skew-trapezoidal–bipyramidal geometry.The asymmetric unit of the title distannoxane, [Sn DOI: 10.1107/S1600536811001917/xu5142Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


A distorted tetrahedral geometry is formed around each HgII ion. The crystal packing is stabilized by intra- and intermolecular N—H⋯Cl hydrogen bonding. There are also π–π stacking interactions in the structure, with centroid-to-centroid distances of 3.594 (6) Å.In the centrosymmetric dinuclear title compound, [Hg DOI: 10.1107/S1600536812039803/bt6826Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


I compound, [Cu2Br2(C12H10N2)]n, the Cu cation is coordinated by an N atom from the 1,2-bis(4-pyridyl)ethene ligand and three Br− anions in a distorted tetrahedral CuBr3N coordination geometry. Each Br− anion bridges three Cu cations related by inversion centers, forming a stair-like polymeric chain along the a axis, and the terminal N atoms of the 1,2-bis(4-pyridyl)ethene ligand, located across an inversion center, coordinate the Cu cations from neighboring chains, forming polymeric sheets.In the title polymeric Cu DOI: 10.1107/S1600536810030734/xu5009Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the mean planes of the two bipyridine ligands is 87.67 (6)°.In the title compound, [Cd(C DOI: Click here for additional data file.10.1107/S1600536812044108/lh5540Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The three Na+ cations are located in the voids of the framework. One of the cations is situated on a general position, one is equally disordered around a twofold rotation axis and one is on a fourfold rotoinversion axis. The isolated PO4 tetrahedron of the anionic framework is also situated on the -4 axis. Structural relationships between the title compound and different diphosphates containing MP2O11 units  are discussed.The title compound, heptasodium tetrachromium(III) tetrakis(diphosphate) orthophosphate, was synthesized by solid-state reaction. Its structure is isotypic with that of Na DOI: Click here for additional data file.10.1107/S1600536813008726/wm2734Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The crystal packing is influenced by cation-to-anion N—H⋯Cl and C—H⋯Cl hydrogen bonds. The [ZnCl4]2− anions have a distorded tetrahedral geometry. Intermolecular π–π stacking interactions are present between neighboring benzene rings, thiazole and benzene rings and neighboring thiazole rings .The asymmetric unit of the title compound, (C DOI: 10.1107/S1600536811015753/vn2006Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The complex cations adopt slightly distorted octahedral coordination environments around the CrIII ion, defined by four pyridine (py) N atoms in the equatorial plane and two F− ligands in the axial positions; intramolecular C—H⋯F contacts are noted. The mean Cr—N(py) and Cr—F bond lengths are 2.088 (6) and 1.8559 (10) Å, respectively. The three-dimensional architecture is sustained by hydrogen bonds involving the pyridine C—H groups as donors, and F and O atoms as acceptors.The are two independent complex cations in the title salt, [CrF DOI: 10.1107/S1600536813023052/tk5248Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The molecule contains two fused six-membered rings both in chair conformations. In the crystal, molecules are linked into chains running parallel to the a axis by O—H⋯O hydrogen bonds.The title compound, C DOI: 10.1107/S1600536811053712/bt5751Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811053712/bt5751Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The cation adopts a tetrahedral geometry. In the crystal, the cations and the anions are connected by C—H⋯Cl hydrogen bonds, leading to an infinite chain propagating along the c direction.The crystal structure of the title salt, (C DOI: Click here for additional data file.10.1107/S1600536812049689/pk2448Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The carboxylate group of one aminobenzoate anion coordinates to the ZnII cation in a monodentate manner, whereas the carboxylate group of the other aminobenzoate anion chelates the Zn cation with different Zn—O bond lengths. Intermolecular N—H⋯N and N—H⋯O hydrogen bonding is present in the crystal structure.In the title complex, [Zn(C DOI: 10.1107/S1600536811039389/xu5334Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the pyridine rings is 6.3 (2)°. The N—C—C—N torsion angle is 177.5 (2)°. In the dianion, the CrVI ions are in a slightly distorted tetrahedral coordination environment and the bond angles at the independent CrVI ions are in the ranges 105.93 (10)–110.60 (11) and 107.35 (11)–111.07 (12)°. The Cr—O—Cr angle is 127.96 (12)°. The crystal used was an inversion twin with refined components of 0.510 (19) and 0.490 (19).In the cation of the title salt, (C DOI: 10.1107/S1600536812005430/lh5410Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The cation is a W-shaped entity with the aromatic rings at the ends; the ammonium NH2               + group is a hydrogen-bond donor to the pyridyl N atoms. The perchlorate ion has one O atom disordered over two sites in a 0.50:0.50 ratio.The cation and anion of the title salt, C DOI: 10.1107/S1600536810032216/bh2303Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal packing exhibits no classical intermolecular contacts.The asymmetric unit of the title compound, C DOI: 10.1107/S1600536810048981/cv5005Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The 3,5-dinitropyridin-4-oxido N-oxide ligand is formally a zwitterionic anion; the anion binds to the metal atom through the N-oxide O atom. The chains are connected into a three-dimensional network by O—H⋯O hydrogen bonds involving the coordinated and uncoordinated water molecules.In the title coordination polymer, {[Nd(C DOI: 10.1107/S1600536810041139/xu5029Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


E)-2-({2-[4-(dimethylamino)benzoyl]hydrazinylidene}methyl)phenolato]bis[formatozinc], [Zn2(C16H16N3O2)2(CHO2)2], is a dinuclear ZnII complex containing two ZnII cations, two monovalent anions of a Schiff base ligand, 4-dimethylamino-N′-(2-hydroxybenzylidene)benzohydrazide (L), and two formate ions. Each ZnII atom chelates with the hydroxy O atom of salicylaldehyde, the imine N atom, the carbonyl O atom, the formate carboxylate O atom and the hydroxy O atom of the salicylaldehyde moiety in a symmetry-related unit. The five-coordinate ZnII atoms form a dimeric centrosymmetric unit with a central parallelepiped Zn2O2 core and parallel faces derived from the Schiff base ligands. The crystal packing is stabilized by intermolecular N—H⋯O hydrogen bonds between the amide N atom and the formate carboxylate O atom.The title compound, bis[μ-( DOI: 10.1107/S1600536811014462/jj2088Isup2.hkl            Structure factors: contains datablocks I. DOI: 10.1107/S1600536811014462/jj2088Isup3.cdx            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the complex molecules and the trifluoroacetate anions are connected via O—H⋯O hydrogen bonding into layers parallel to the ab plane.In the crystal structure of the title complex, [Ni(C For related complexes, see: Ito & Onaka 2004; Kermago6H7NO)3](PF6)(C2F3O2) = 0.033                           wR(F                           2) = 0.088                           S = 1.05                           5736 reflections376 parameters9 restraintsH-atom parameters constrainedmax = 0.50 e Å−3                        Δρmin = −0.45 e Å−3                        Δρ                                 RAPID-AUTO  used to solve structure: SIR2004  I, global. DOI: 10.1107/S160053681104431X/nc2249Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CuII ion is coordinated by two N atoms and two O atoms from the bis-Schiff base ligand in a slightly distorted square-planar geometry. The dihedral angle between the two benzene rings is 45.89 (9)°. The crystal structure is devoid of any classical hydrogen bonds. However, intermolecular C—H⋯O interactions are present and stabilize the structure.In the title compound, [Cu(C DOI: 10.1107/S1600536810022889/pv2290Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Z. Anor DOI: 10.1107/S1600536812027857/wm2643Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Zn cation, located on an inversion center, is N,O-chelated by two pyrazine-2,3-dicarboxylate (pyzdc) anions in the basal plane, and is further coordinated by two carboxylate O atoms from adjacent pyzdc anions in the axial directions with a longer Zn—O bond distance, forming a distorted ZnN2O4 coordination geometry. The pyzdc anions bridge the Zn cations, forming polymeric chains running along the crystallographic b axis. The acridinium cations are linked to the complex chains via N—H⋯O and C—H⋯O hydrogen bonding. Significant π–π stacking between parallel acridinium ring systems is observed in the crystal structure, face-to-face distances being 3.311 (3) and 3.267 (4) Å.The crystal structure of the title compound, {(C DOI: 10.1107/S1600536810025195/xu2784Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The triazolide ligand is nearly planar: the central triazole ring is oriented at dihedral angles of 4.63 (13) and 8.41 (13)° with respect to the pyrazine and pyridine rings. Intermolecular O—H⋯N hydrogen bonds link the molecules into a two-dimensional supramolecular network parallel to (001).In the title compound, [Cd(C DOI: 10.1107/S1600536811045545/xu5363Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two pyridine rings form a dihedral angle of 84.63 (7)°. The two benzene rings in L are twisted at 58.83 (5)°. Weak intermolecular C—H⋯F hydrogen bonds consolidate the crystal packing.In the title compound, [Co(C DOI: 10.1107/S1600536811043157/cv5178Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536811031199/tk2775Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811031199/tk2775Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536810024773/ng2792Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The metal atom is surrounded by two chelating isobidentate dithiophosphonate ligands in a trans or anti configuration, binding through the S-donor atoms.The title compound, [Ni(C II–dithiophosphonate complex, see: Hartung 2] = 0.019wR(F2) = 0.053S = 1.093446 reflections153 parametersH-atom parameters constrainedmax = 0.35 e Å−3Δρmin = −0.39 e Å−3ΔρAPEX2  I, global. DOI: Click here for additional data file.10.1107/S1600536812047368/fj2606Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Each [MnCl4]2− anion is connected to the 1-cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane dications by N—H⋯Cl hydrogen bonds, forming chains parallel to [001].In the crystal structure of the title compound, (C DOI: 10.1107/S160053681004047X/im2229Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal under investigation was twinned by pseudo-merohedry with a twofold rotation around the c axis as an additional twinning operation. The crystal structure is built of layers of distorted edge- and corner-sharing CeF8 square-antiprisms. The Cs+ cations are located between the layers and exhibit coordination numbers of nine. Upon compression, CsCeF5 undergoes an irreversible phase transition at about 1 GPa.Single-crystals of CsCeF DOI: 10.1107/S1600536814003286/fj2660Isup2.hklStructure factors: contains datablock(s) I. DOI: CCDC reference:  crystallographic information; 3D view; checkCIF reportAdditional supporting information:


In the crystal, anions and cations are interconnected by N—H⋯Br hydrogen bonds, forming ribbons parallel to [0-11].The structure of the title salt, (C DOI: 10.1107/S1600536812011117/bh2418Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


I/CuII coordination polymer, [Cu2Cl3(C20H14N4)]n, the two Cu atoms are bridged to a pair of Cl atoms across a centre of inversion. The monovalent metal atoms is coordinated by a pyridine N atom as well as by three Cl atoms in a tetrahedral CuNCl3 geometry. The divalent metal atom is N,N′,N′′-chelated by the heterocycle, and it exists in a square-pyramidal CuN3Cl2 geometry; the apical site is occupied by the second bridging Cl atom. The bridging modes of the Cl atoms and the heterocycle give rise to the formation of a layered arrangement parallel to (001).In the mixed-valence Cu DOI: 10.1107/S1600536811014759/ng5143Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Ag+ cation adopts a considerably distorted a tetrahedral coordination. In the crystal, adjacent binuclear molecules are connected into a layer motif through the amino group of the anion; the layers are perpendicular to the a axis.In the title 1:1 silver 4-aminobenzenesulfonate adduct with triphenylphosphine, [Ag(C DOI: 10.1107/S1600536810024207/su2190Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intramolecular O—H⋯O hydrogen bonds are observed in the DHB ligands.In the mononuclear title complex, [Nd(C DOI: 10.1107/S1600536810042583/hy2364Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


S,6S,2R)-9,13-dimethyl-5-methylene-3-oxatricyclotrideca-9,12-diene-4,11-dione], C15H16O3, is a guanolide isolated from Artemisia douglasiana. The fused-ring system contains a seven-membered ring that adopts a chair conformation, a fused planar cyclopentenone ring and a five-membered lactone ring fused in envelope conformation. The absolute structure determined by X-ray analysis agrees with that previously assigned to this compound by NMR studies  and also with that of leucodine, a closely related guaianolide .Dehydroleucodin [systematic name: (1dero 1972. Tetrah al. 1988. J. Nat. DOI: 10.1107/S1600536811048938/bg2432Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811048938/bg2432Isup3.mol            Supplementary material file. DOI: 10.1107/S1600536811048938/bg2432Isup4.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Cr atom and two carbonyl groups are on a twofold axis. The benzene rings attached to the phosphorus atom make dihedral angles of 80.32 (5), 52.91 (5) and 83.80 (5)° with each other. In the crystal, C—H⋯O and C—H⋯F intermolecular interactions form an infinite three-dimensional network.In the title compound, [Cr(C DOI: 10.1107/S1600536811033939/ng5213Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The equatorial positions are occupied by four N atoms from four diniconazole  ligands. The axial sites are occupied by two Cl− anions. In the two independent organic ligands, the triazole ring is oriented at dihedral angles of 18.28 (14) and 32.15 (14)° with respect to the dichlorophenyl ring. Intermolecular O—H⋯Cl hydrogen bonds consolidate the crystal packing.In the crystal structure of the title compound, [CoCl DOI: 10.1107/S1600536811031291/xu5277Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two water molecules act as bridging ligands, resulting in the formation of dimeric units organized around inversion centers. In the organic anion, the pyridine and tetrazole rings are nearly coplanar, forming a dihedral angle of 4.62 (1)°. The dimeric units and organic anions are connected by O—H⋯O and O—H⋯N hydrogen bonds, leading to the formation of a three-dimensional network.In the title compound, [Na DOI: 10.1107/S1600536810052566/dn2636Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The anions bridge adjacent HoIII ions into double chains. Adjacent chains are further connected into sheets. O—H⋯O hydrogen bonds involving both coordinated and uncoordinated water molecules generate a three-dimensional supramolecular framework.In the title coordination polymer, {[Ho(C DOI: 10.1107/S1600536811016953/sj5136Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The BF4               − anion is coordinated to three different Li+ cations though three F atoms. The structure can be described as being built from vertex-shared BF4 and LiF3(NCCH3) tetrahedra. These tetrahedra reside around a crystallographic inversion center and form 8-membered rings.The structure of the title compound, [Li(BF DOI: 10.1107/S1600536811012141/fj2410Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The F atoms of L are disordered over two positions related by a 180° rotation of the fluorophenyl group around its external C—N bond.The structure of the title compound, [Ni(C DOI: Click here for additional data file.10.1107/S1600536812045576/br2213Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The CuII ion is in a distorted square-pyramid coordination environment formed by the bichelating N-heterocyclic ligand, two bridging Cl atoms and one terminal Cl atom. One of the bridging Cu—Cl bonds is significantly longer than the other.The binuclear title complex, [Cu DOI: 10.1107/S1600536811032053/kj2183Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Fe atom is slightly closer to the substituted cyclopentadienyl ring, with an Fe⋯centroid distance of 1.639 (2) Å, compared with 1.645 (2) Å for the unsubstituted ring. The C=N double bond is essentially coplanar with the substituted cyclopentadienyl ring with a deviation of 10.3 (1)°. The angle formed by the C=N double bond and the naphthalene ring system is 47.1 (1)°. The C—N=C—C torsion angle is 177.32 (5)°.In the title molecule, [Fe(C DOI: 10.1107/S1600536808026330/lh2673Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the SrII ions  are connected by two crystallographically distinct benzene-1,2-dicarboxylate ligands and one formate ligand, forming a two-dimensional polymer parallel to (001). The asymmetric unit of the title complex, [Sr DOI: 10.1107/S1600536811044977/lh5360Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal consists of a pair of enantiomers (Δ and Λ) of the compound. The Δ and Λ isomers have the λ and δ conformations for the aet chelate rings and the δ and λ conformations for the dppe chelate rings. The F atoms of the PF6− counter-anion are disordered over three positions, with site occupancies of 0.4, 0.3 and 0.3.In the crystal of the title compound, [Ru(C DOI: Click here for additional data file.10.1107/S1600536812044273/gk2528Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The CH3 group trans to the I atom has a slightly elongated bond to Pt compared to the other CH3 groups, indicating a difference in trans influence between iodine and the bipyridine ligand.In the title compound, [Pt(CH DOI: 10.1107/S1600536811014085/lr2005Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The PbII atom is in a Ψ-square-antiprismaic coordination.In the centrosymmetric binuclear title compound, [Pb DOI: 10.1107/S1600536810032125/ci5151Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the title complex, [Ni(C DOI: 10.1107/S1600536812024749/ru2036Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The crystal packing is stabilized by intermolecular C—H⋯F and C—H⋯O hydrogen bonds.In the title compound, [Co(CH DOI: 10.1107/S1600536812035222/hy2569Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The structure consists of chains of Ca2+ and Sn4+ cations in octahedral sites with -3 symmetry bridged by bidentate hypophosphite anions. The chains are hexagonally close packed along [001]. The discovery of the compound and the successful structure refinement provides strong evidence that an isostructural compound, originally described as the mixed-valence compound, Ge2[H2PO2]6 [Weakley 6].The title compound, Ca[Sn(Hkley 1983. J. Chem DOI: 10.1107/S1600536813018205/cq2005Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Pt—P bond lengths are 2.2489 (9) and 2.2627 (9) Å, whereas the Pt—Cl bond lengths are 2.3566 (9) and 2.3336 (9) Å. The title compound, [PtCl DOI: 10.1107/S1600536811043789/kp2359Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Zn⋯Zn separation is 2.9750 (6) Å. The complex dimers are extended into a two-dimensional polymeric structure parallel to (100) through bridges provided by the second carboxylate group of the ligand.In the title complex, [Zn DOI: 10.1107/S1600536811013092/zs2089Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


IV atom in the title compound, [Sn(C6H5)3Cl(C13H12OS)], is situated within a distorted C3ClO trigonal–bipyramidal coordination geometry with a mean Sn—C distance of 2.136 (6) Å and with an Sn—O distance of 2.393 (4) Å. The SnIV atom lies 0.171 (3) Å out of the equatorial C3 plane in the direction of the axially bound Cl atom.The Sn For rel al. 2009; Kumar e al. 2009; Filguei al. 1982; Dokorou al. 2011.6H5)3Cl(C13H12OS)] = 0.037wR(F2) = 0.067S = 1.023463 reflections306 parametersH-atom parameters constrainedmax = 0.37 e Å−3Δρmin = −0.40 e Å−3ΔρAbsolute structure: Flack 1983, 626 FriFlack parameter: 0.02 (3)XSCANS  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536812005910/tk5048Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The carboxylate groups of the DNBA anions exhibit three coordination modes: bidentate chelating, bidentate chelating–bridging and tridentate chelating–bridging. The center of the molecule is located on a crystallographic center of inversion.In the binuclear title complex, [Dy DOI: 10.1107/S1600536810052001/im2251Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CoIII ions are six-coordinate with acetylide and chloride ligands bound to the axial sites and the N atoms from the cyclam rings coordinated at the equatorial positions. N—H⋯O and N—H⋯Cl hydrogen-bonding interactions help to consolidate the crystal packing.In the title compound,  CoCl2]Cl, see: Bosnich et al. Cl2(C10H24N4)2]0.88[Co2(C10H3Br)Cl2(C10H24N4)2]0.12·(C24H20B)2·4C3H6O = 0.037                           wR(F                           2) = 0.097                           S = 1.02                           25801 reflections1001 parametersH-atom parameters constrainedmax = 0.52 e Å−3                        Δρmin = −0.42 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXTL  I, global. DOI: 10.1107/S1600536811019969/qm2008Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811019969/qm2008Isup3.mol            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials: interactive version of Fig. 1            Enhanced figure:


In the crystal, intermolecular N—H⋯Cl and C—H⋯Cl hydrogen bonds and π–π contacts between the pyridine rings [centroid–centroid distance = 3.5419 (19) Å] result in the formation of a supramolecular structure.In the anion of the title compound, (C DOI: 10.1107/S160053681202853X/hy2560Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The major contributions to the cohesion and the stability of this two-dimensional polymeric structure are the covalent Cd—S,N bonds and one weak intralayer N—H⋯S hydrogen bond.The structure of the title polymeric compound, [Cd(SCN) DOI: 10.1107/S1600536813031255/vn2078Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813031255/vn2078Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Each Li atom in the cube is additionally coordinated by a diethyl ether molecule and each O atom in the cube carries a 9-oxa-10-boraanthracene residue. The crystal studied was a non-merohedral twin  emulating apparent tetragonal symmetry, whereas the actual crystal system is just orthorhombic.The title compound, [Li DOI: 10.1107/S1600536811041201/bg2423Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Na+ ion is eight-coordinated by four ligand O atoms and four nitrate O atoms. The ligand links the CuII and Na ions, forming a layered arrangement extending parallel to (001). In the title heterodinuclear complex, [CuNa(C DOI: 10.1107/S1600536811040025/ng5236Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal packing is stabilized by O—H⋯O hydrogen bonds and π–π stacking interactions between the aromatic rings of pyridine-2,5-dicarboxylate with centroid–centroid distances of 3.6166 (13) Å.In the polymeric title compound, [Ca(C DOI: 10.1107/S1600536810054334/bt5441Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Å between pairs of inversion-related molecules.The title compound, [Mn(C al. 2006. Inorg.  DOI: 10.1107/S1600536810048270/lh5164Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


III atom in the title compound, {[La(C5H4N3O2)(C2O4)(H2O)2]·H2O}n, is N,O-chelated by a 3-aminopyrazine-2-carboxylate ion; this ion links adjacent metal atoms to form a chain parallel to [010]. The oxalate ion serves as a bis-bidentate chelate that links adjacent metal atoms to form a chain parallel to [001]. The two bridging ions give rise to a layer motif parallel to (100) in which the LaIII atom exists in a distorted tricapped trigonal prismatic geometry. Extensive hydrogen bonding between the constituents stabilizes the structure.The water-coordinated La DOI: 10.1107/S1600536811034404/qk2018Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the benzene rings is 34.67 (8)° and the angle between the benene ring and the adjacent benzimidazole ring system is 43.26 (10)°. The bridging ligand links the CoII atoms into chains propagating in [In the title compound, [CoCl DOI: 10.1107/S1600536811010671/hb5820Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ligand links the metal atoms linto a linear chain running along the a axis. One of the nitrate O atoms is equally disordered over two sets of sites.In the title compound, [Cu(NO DOI: 10.1107/S1600536811016096/ng5152Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The C—C—N bond angle of the bridging CH2 group is 112.14 (16)°. In the crystal, molecules are linked via N—H⋯N hydrogen bonds, forming infinite chains parallel to [101] and [10In the title compound, C DOI: 10.1107/S1600536811026602/qk2008Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811026602/qk2008Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal packing does not involve any significant intermolecular interactions, although the benzene rings are involved in a number of weak intra- and intermolecular C—H⋯π interactions.In the title compound, [Sn(C DOI: 10.1107/S1600536810039851/fj2342Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Weak cation-to-anion C—H⋯Cl interactions generate a three-dimensional network.In the crystal structure of the title molecular salt, (C DOI: 10.1107/S1600536811048823/hb6492Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The piperazine-1,4-dicarbodithioate linker has an almost ideal chair conformation. The geometry about the gold atoms is severely distorted tetrahedral punctuated by a very acute S—Au—S bite angle.In the title compound, [Au DOI: 10.1107/S1600536811044229/ng5253Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The 6-quinolinecarboxylate anion bridges three Ag+ cations, forming a nearly planar polymeric sheet parallel to (101). The distance between Ag+ cations bridged by the carboxyl group is 2.9200 (5) Å. In the crystal, π–π stacking is observed between parallel quinoline ring systems, the centroid–centroid distance being 3.7735 (16) Å.In the title coordination polymer, [Ag(C DOI: 10.1107/S1600536812023835/xu5546Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Its structure is isotypic with the MnII, FeII, CoII, NiII, CuII and ZnII analogues. The MgII cation has a slightly distorted octahedral geometry containing four N atoms from two 1,10-phenanthroline molecules and two N atoms from two thiocyanate anions. The asymmetric unit contains one-half molecule, and the complete complex has 2 symmetry.The title compound, [Mg(NCS) DOI: 10.1107/S1600536810027054/bh2298Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intermolecular C—H⋯π interactions are observed in the crystal structure.In the title compound, [Cd(C DOI: 10.1107/S1600536812038433/hy2583Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812038433/hy2583Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The asymmetric unit contains two half-molecules in both of which the PdII atom lies on a centre of symmetry. The average distances between the PdII atom and the coordinated O and N atoms are 1.9831 (12) and 2.012 (2) Å, respectively.In the title complex, [Pd(C DOI: 10.1107/S1600536811049555/rk2317Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Substitution of an O atom with a methyl-functionalized N atom does not significantly alter the bond distances and angles in the copper(II) complex when compared with a similar bis(troponato)copper(II) complex. π–π stacking is observed between the tropolone rings, with interplanar distances of 3.5039 (16) and 3.2933 (15) Å, respectively. Additional stabilisation of the structure is accomplished through C—H⋯O hydrogen-bonding interactions. In the title compound, [Cu(C DOI: 10.1107/S1600536810043503/pk2271Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


III atom of the title compound, [Ir(C11H8N)2Cl(CH3CN)], displays a distorted octahedral coordination. The pyridyl groups are in trans positions [N—Ir—N = 173.07 (10)°], while the phenyl groups are trans with respect to the acetonitrile and chloride groups [C—Ir—N = 178.13 (11) and C—Ir—Cl = 176.22 (9)°]. The pyridylphenyl groups only show a small deviation from planarity, with the dihedral angle between the planes of the two six-membered rings in each pyridylphenyl group being 5.6 (2) and 5.8 (1)°. The crystal packing shows intermolecular C—H⋯Cl, C—H⋯π(acetonitrile) and C—H⋯π(pyridylphenyl) contacts.The Ir DOI: 10.1107/S1600536811049373/tk5023Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angles made by the planes defined by the aromatic ring carbons of the 4-methylbenzene and 2,4-dimethylbenzene fragments with the plane defined by the chelate ring are 13.43 (15) and 82.69 (13)° respectively. The angle between the planes defined by the aromatic carbons of the two rings is 89.40 (16)°. A a weak intramolecular C—H⋯N hydrogen bond occurs.In the centrosymmetric mononuclear title complex, [Cu(C DOI: 10.1107/S1600536812025081/qm2070Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The Mn—O distances range from 2.151 (2) to 2.5093 (19) Å, while the Mn—N distances are 2.226 (2) and 2.248 (2) Å. Each 5-ferrocenylbenzene-1,5-dicarboxylate anion links to two MnII ions, resulting in a chain along the b axis. A three-dimensional network of N—H⋯O and O—H⋯O hydrogen bonds helps to stabilize the crystal packing.In the title coordination polymer, {[FeMn(C DOI: 10.1107/S1600536811022781/fj2428Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intermolecular O—H⋯N hydrogen bonds link the complex molecules into a two-dimensional network parallel to (010).In the title compound, [Ni(C DOI: 10.1107/S1600536811016643/hy2427Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal structure, the molecules are linked via weak intermolecular C—H⋯O hydrogen bonds [3.334 (5) Å] and there are also short inversion-related intermolecular Br⋯Br contacts [3.4263 (6) Å]In the title complex, [Co(C DOI: 10.1107/S1600536810032162/zs2053Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


There is an offset inter-complex face-to-face π–π interaction [centroid–centroid distance = 3.718 (2) Å] involving one of the pyridine rings of the ligand as well as an intra-complex O—H⋯O hydrogen-bonding interaction between the coordinated hydroxyl group of the ligand and the perchlorate counter-ion.In the title compound, [Cu(ClO DOI: 10.1107/S1600536810053985/zs2085Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination polyhedron around the central CoII ion is about halfway between square-pyramidal and trigonal-bipyramidal geometry. In the structure, the nitrate counter-anion is connected by N—H⋯O hydrogen bonding to the complex cation. Additionally, the complex cations form one-dimensional chains along [010] by hydrogen bonding of the NH group of an imidazole ring to the picolinate group of a neighbouring complex cation.Single crystals of the title compound, [Co(C DOI: 10.1107/S1600536812004485/nc2266Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812004485/nc2266Isup3.molSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The nuclei are 3.1414 (2) Å apart. The molecule exhibits a twofold symmetry axis. Stacks of the compound are formed through intermolecular C—H⋯Cl interactions, while the tetrahydrofuran (THF) solvate is further attached to the stacks through weak C—H⋯O hydrogen bonding from the THF O atom to two separate H atoms on the complex.The title compound, [Au DOI: 10.1107/S1600536811038499/bh2379Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal structure, intermolecular C—H⋯π interactions and short intermolecular I⋯O contacts [3.142 (2) Å] are observed.In the title compound, C DOI: 10.1107/S1600536810033581/nc2194Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The structure is the first example of β-diketonate in a dianionic κ2               C-coordination complex containing a PdII—PdII bond. Both PdII atoms adopt a pseudo square-planar coordination geometry. The molecular packing involves π-interactions between the phenyl rings of the 1,3-diphenylpropane-1,3-dionato ligands with centroid–centroid distances in the range 3.823 (2)–3.868 (2) Å.The title compound, [Pd DOI: 10.1107/S1600536811017144/ff2010Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials: interactive version of Fig. 1            Enhanced figure:


Both Sn atoms show a distorted cis-trigonal–bipyramidal coordination geometry that is distorted towards a square pyramid. In the crystal, weak C—H⋯π interactions occur between anions and cations.In the title salt, [C DOI: 10.1107/S1600536811021295/xu5234Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Mg atom is in a considerably distorted Br2CO coordination. Bond lengths and angles are comparable with already published values. The crystal packing is stabilized by C—H⋯π interactions linking the complexes into sheets parallel to (0-11). The crystal structure of the title compound, [Mg DOI: 10.1107/S1600536813017108/ng5334Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The NiII atoms are six-coordinated by two O atoms of two monodentate carboxylate anions and four N atoms from bipyridine ligands and are connected into layers by the 4,4′-bipyridine ligands.The crystal structure of the title complex, [Ni(C DOI: 10.1107/S1600536810050117/jh2232Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ZnII ions are coordinated by two terminal ethyl (Et) groups and four maltolate ligands, which act as μ3- and μ2-bridges. The metal atoms are arranged in an incomplete cubane Zn3O4 core structure, derived from one EtZnO3 tetrahedron, one EtZnO4 bipyramid and one ZnO6 octahedron, sharing common corners. The structure is stabilized by weak C—H⋯O and C—H⋯π interactions.The title compound, [Zn DOI: Click here for additional data file.10.1107/S1600536813010064/aa2088Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813010064/aa2088Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Weak intermolecular C—H⋯O and C—H⋯N hydrogen bonds result in a supramolecular layer parallel to (101). These layers are connected by π–π interactions between the benzene rings [centroid–centroid distance = 3.891 (2) Å].In the title complex, [Cu(NO DOI: 10.1107/S160053681103529X/hy2463Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CuI ion is four-coordinated in a distorted tetrahedral configuration by two N atoms from L and two P atoms from triphenylphosphane ligands. In the L ligand, the two pyridine rings are not coplanar; the mean planes making a dihedral angle of 15.3 (5)°. In the crystal, the ions are linked by weak C—H⋯F interactions.The title compound, [Cu(C I complexes, see: Wang et al. (C18H15P)2]BF4                         = 0.056                           wR(F                           2) = 0.142                           S = 0.95                           6547 reflections568 parameters2 restraintsH-atom parameters constrainedmax = 0.47 e Å−3                        Δρmin = −0.42 e Å−3                        ΔρAbsolute structure: Flack 1983, 1482 FrFlack parameter: 0.010 (13)                                 SMART  used to solve structure: SHELXS97  global, I. DOI: 10.1107/S1600536811029515/zq2111Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The TbIII ion adopts a doubly-capped square-antiprismatic coordination environment defined by three chelating nitrate anions and two N,O-bidentate nitronyl nitroxide radical ligands. Weak C—H⋯O hydrogen bonds connect the molecules into a three-dimensional framework. The title structure is isotypic with the Ho analogue .The title compound, [Tb(NO [Li 2012. Acta Cr DOI: Click here for additional data file.10.1107/S1600536812040287/mw2078Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The bridging ligands link metal centres, forming a three-dimensional network which is stabilized by intermolecular O—H⋯N hydrogen-bonding interactions.In the title polymeric complex, [Cd(C DOI: 10.1107/S1600536810027406/rz2474Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ZnII cation is coordinated by two Cl− anions and two pyrazine-2-carboxamide ligands in a distorted ZnCl2N2 tetrahedral geometry. The two pyrazine rings are nearly perpendicular to each other [dihedral angle = 86.61 (10)°]. Intermolecular N—H⋯O and N—H⋯N hydrogen bonds and weak C—H⋯O interactions stabilize the crystal packing.In the crystal of the title compound, [ZnCl DOI: 10.1107/S1600536812013888/xu5500Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Two carbene C atoms of the N-heterocyclic carbene (NHC) ligands are bonded tightly forming a slightly bent [Ag(NHC)2]+ cation [C—Ag—C angle = 162.80 (18)°]. Three of these complex cations are further aggregated by one bridging chloride anion, which is lying on a threefold rotoinversion axis and is only loosely binding to the Ag+ ions. The N atom of the amine group is not engaged in any coordinative bond.In the crystal structure of the title compound, [Ag DOI: 10.1107/S1600536812004473/bt5811Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812004473/bt5811Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


DOI: 10.1107/S1600536812011749/ff2059Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Two PbII atoms are bridged by the Hbtc ligands, forming a discrete centrosymmetric dinuclear complex. Intermolecular N—H⋯O and O—H⋯O hydrogen bonds and π–π interactions between the pyridine and imidazole rings, and between the pyridyl rings of the L ligands [centroid–centroid distances = 3.600 (6) and 3.732 (6) Å] lead to a three-dimensional supramolecular structure.In the title compound, [Pb DOI: 10.1107/S1600536810045812/hy2360Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The ferrocenylimine moieties are trans to each other.The title compound, [Fe DOI: 10.1107/S1600536812009191/pk2391Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Chem. For our al. 1999.       12H11OP)] = 0.019                           wR(F                           2) = 0.048                           S = 1.03                           4651 reflections291 parametersH-atom parameters constrainedmax = 0.74 e Å−3                        Δρmin = −0.63 e Å−3                        Δρ                                 APEX2  used to solve structure: SHELXS97  I, global. DOI: 10.1107/S1600536811035732/ru2011Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CuII atoms display a distorted square-pyramidal coordination geometry and are linked by two μ2-phenolate O atoms from the salicylate ligands and two μ3-hydroxo groups, forming a Cu4O4 core that adopts a ‘stepped-cubane’ geometry. In the crystal, the cations are linked by O—H⋯O hydrogen bonds to the nitrate anions, which are in turn connected via O—H⋯O interactions to centrosymmentric water tetramers.The tetranuclear title complex, [Cu DOI: 10.1107/S1600536811011433/gk2359Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The structure displays a distorted trigonal-pyramidally coordinated cobalt(I) atom, with two phosphane ligands and one DMSO ligand in the equatorial plane. The coordination is completed by one further DMSO ligand and the anionic hydride in the axial positions.The title compound, [CoH(C DOI: 10.1107/S1600536810029466/bt5307Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


II(C18H12N2O2)(C5H5N)], the CuII ion is coordinated by two O atoms and one N atom from the dianionic tridentate L               2− ligand  and one N atom from a pyridine molecule in a CuN2O2 distorted square-planar coordination environment.In the mononuclear title compound, [Cu DOI: 10.1107/S1600536811011081/zq2095Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The two benzene rings of the biphenyl unit form a dihedral angle of 55.99 (8)°. There are no significant hydrogen bonds observed in the crystal of this compound.In the title compound, C DOI: 10.1107/S1600536812018065/hb6748Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812018065/hb6748Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Due to the proximity of the non-coordinating thione S atom, distortions from ideal tetrahedral geometry about the metal atom are evident with the widest C—Sn—S angle being 117.26 (5)°. In the crystal, molecules are linked by C—H⋯S interactions, which generate helical supramolecular chains along the b axis.The title compound, [Sn(C DOI: 10.1107/S1600536811012426/hb5836Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination sphere about the Na atom in each complex unit comprises five bonds to O atoms of the crown ether [Na—O = 2.390 (7)–2.466 (6) Å] and one to a thiosulfate O atom [Na—O = 2.305 (4) and 2.447 (3) Å].In the title complex, [Na(C DOI: 10.1107/S1600536811022252/zs2116Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials: interactive version of Fig. 1            Enhanced figure:


The octahedra are connected by malonate anions, forming chains along the c-axis direction. O—H⋯O hydrogen bonds link these chains into a three-dimensional network.In the title compound, [Mg(C DOI: 10.1107/S1600536813034193/kj2236Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supporting information:


It belongs to type II of the structural family of M               I               Ln               III(PO3)4 compounds  and is composed of ∞(PO3)n]n− polyphosphate chains with a repeating unit of four PO4 tetrahedra. The chains extend parallel to [100] and share O atoms with irregular SmO8 polyhedra, forming a three-dimensional framework which delimits tunnels occupied by Na+ cations in a distorted octahedral environment.NaSm(PO DOI: 10.1107/S1600536810022543/wm2360Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The other two Ru atoms each carry two equatorial and two axial carbonyl ligands. The three arsine-substituted benzene rings make dihedral angles of 77.94 (13), 86.37 (13) and 73.22 (12)° with each other. Two of the methylsulfanyl groups are disordered over two positions with refined site occupancies of 0.720 (7):0.280 (7) and 0.644 (8):0.356 (8). In the crystal structure, molecules are linked into infinite chains along the a axis by weak intermolecular C—H⋯O hydrogen bonds.The crystal structure of the title  DOI: 10.1107/S1600536810029223/lh5089Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is stabilized by π–π stacking interactions [shortest centroid–centroid distance = 3.5537 (18) Å].In the title complex, [Cd(NO DOI: 10.1107/S160053681002550X/tk2681Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is characterized by polymeric zigzag chains running parallel to [2-10] and is stabilized by O—H⋯O hydrogen bonds.In the title complex, {[Zn(C DOI: 10.1107/S1600536812025068/bt5933Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


These help to stabilize the structure and link the molecules, forming a three-dimensional network structure. The Ni2+ cation exists in a slightly distorted octahedral NiNO5 coordination environment. The thiophene rings are disordered over two equivalent conformations with occupancies of 0.881 (3) and 0.119 (3).In the crystal structure of the centrosymmetric binuclear title complex, [Ni DOI: 10.1107/S160053681102143X/bv2181Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, there are no significant hydrogen-bonding or π–π interactions.In the title compound, [Co(C DOI: 10.1107/S1600536811046216/pv2467Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


One of the aluminium ions lies on a crystallographic twofold axis. The sodium ions are situated over ten positions (one with site symmetry 2), all but one of which are partially occupied.The title compound, heptasodium trialuminium tetrakis(diarsenate), has been isolated as single crystals from a solid-state reaction. Its structure, which is isotypic with that of the Na DOI: 10.1107/S1600536813020151/hb7105Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813020151/hb7105Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The dihedral angles between the benzene rings and the naphthalene ring systems are 70.98 (13) and 72.89 (13)°. In the crystal, centrosymmetrically-related molecules are linked into dimeric units by intermolecular C—H⋯O interactions.In the title compound, C DOI: 10.1107/S1600536811029151/rz2629Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811029151/rz2629Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each manganese(II) cation is coordinated by two terminally N-bonded selenocyanate anions and four bpe ligands within a slightly distorted octahedron. The manganese(II) cations are linked by the bpe ligands into chains that are further connected by these ligands into layers. These layers are stacked, forming cavities in which additional bpe solvent molecules are embedded.The crystal structure of the title compound, {[Mn(NCSe) DOI: 10.1107/S1600536811016199/bt5535Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The N atoms are cis to each other, while the water O atoms and ligand O atoms are mutually trans. The crystal structure is stabilized by a network of O—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds and π–π stacking interactions [centroid–centroid distances = 3.730 (3) and 3.652 (3) Å] between the 5-methylpyrazine-2-carboxylate ligands. The structure is isotypic with the manganese analog.In the title compound, [Cd(C DOI: 10.1107/S1600536811035045/bt5630Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


This compound shows typical green terbium(III) luminescence upon excitation at about 335 nm. The coordination geometry around the TbIII atom is a slightly distorted square antiprism. One hexafluoroacetylacetone ligand has a disordered CF3 group [occupancies of 0.575 (4) and 0.425 (4)]. A three-dimensional network is built up by linkage of TbIII complexes via C—H⋯F interactions.The title compound, (C DOI: 10.1107/S1600536811055437/pk2378Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials: