scholarly journals Tetraaquabis(N,N-dimethylformamide-κO)zinc(II) bis[(2-{3-[2-(carboxylatomethoxy-κ2 O,O′)phenyl]pyrazol-1-yl-κN 2}acetato-κO)chloridozincate(II)]

2012 ◽  
Vol 68 (6) ◽  
pp. m817-m817
Author(s):  
Jie Yang ◽  
Lei Shen ◽  
Cheng Ji ◽  
Xiao-Feng Shen ◽  
Gao-Weng Yang
Keyword(s):  
Three Dimensional ◽  
Dimensional Structure ◽  
Distorted Octahedral Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Pyramidal Geometry ◽  
Acetate Ligand ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Cl Atom

The asymmetric unit of the title compound, [Zn(C3H7NO)2(H2O)4][Zn(C13H10N2O5)Cl]2, is composed of a single anion and half a cation. The ZnII atom in the monoanion has a distorted triganol–pyramidal geometry, being coordinated by three O atoms and one N atom from one 2-{3-[2-(carboxylatomethoxy)phenyl]pyrazol-1-yl}acetate ligand and one Cl atom. In the dication, the ZnII atom is located on an inversion center and is coordinated by six O atoms in a slightly distorted octahedral geometry. In the crystal, the ions are linked by O—H...O hydrogen bonds, forming a two-dimensional network lying parallel to the ab plane. There are also C—H...O and C—H...Cl interactions present, which lead to the formation of a three-dimensional structure.

scholarly journals Poly[di-μ9-citrato-tetrasodiumzinc]

2013 ◽  
Vol 69 (12) ◽  
pp. m672-m672 ◽  
Author(s):  
Yu-Hong Ma ◽  
Hong-Wei Yang ◽  
Jing-Tuan Hao ◽  
Pi-Zhuang Ma ◽  
Ting Yao
Keyword(s):  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Pyramidal Geometry ◽  
Carboxylate Groups ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Square Pyramidal Geometry

In the title compound, [Na4Zn(C6H5O7)2]n, the ZnIIion lies on an inversion center and is coordinated by six O atoms from two citrate ligands, forming a distorted octahedral geometry. There are two crystallographically independent Na+cations in the asymmetric unit. One Na+cation exhibits a distorted square-pyramidal geometry defined by five O atoms from four citrate ligands. The other Na+cation is surrounded by six O atoms from five citrate ligands in a distorted octahedral geometry. The Na+cations are bridged by citrate carboxylate groups, forming a layer parallel to (100). The layers are further assembled into a three-dimensional network with the [Zn(citrate)2]4−building units as `pillars'; O—H...O hydrogen bonds also stabilize the structure.

scholarly journals Crystal structure oftrans-(1,8-dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ4N3,N6,N10,N13)bis(perchlorato-κO)copper(II) from synchrotron data

2015 ◽  
Vol 71 (2) ◽  
pp. 136-138 ◽  
Author(s):  
Dae-Woong Kim ◽  
Jong Won Shin ◽  
Dohyun Moon
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Bond Length ◽  
Macrocyclic Ligand ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Distorted Octahedral

The structure of the title compound, [Cu(ClO4)2(C16H38N6)] has been determined from synchrotron data, λ = 0.62988 Å. The asymmetric unit comprises one half of the CuIIcomplex as the CuIIcation lies on an inversion center. It is coordinated by the four secondary N atoms of the macrocyclic ligand and the mutuallytransO atoms of the two perchlorate ions in a tetragonally distorted octahedral geometry. The average equatorial Cu—N bond length is significantly shorter than the average axial Cu—O bond length [2.010 (4) and 2.569 (1) Å, respectively]. Intramolecular N—H...O hydrogen bonds between the macrocyclic ligand and uncoordinating O atoms of the perchlorate ligand stabilize the molecular structure. In the crystal structure, an extensive series of intermolecular N—H...O and C—H...O hydrogen bonds generate a three-dimensional network.

scholarly journals Crystal structures of (1,4,7,10-tetraazacyclododecane-κ4N)bis(tricyanomethanido-κN)nickel and (1,4,7,10-tetraazacyclododecane-κ4N)(tricyanomethanido-κN)copper tricyanomethanide

2015 ◽  
Vol 71 (6) ◽  
pp. 693-697
Author(s):  
Jun Luo ◽  
Xin-Rong Zhang ◽  
Li-Juan Qiu ◽  
Feng Yang ◽  
Bao-Shu Liu
Keyword(s):  
Transition Metal Complexes ◽  
Three Dimensional ◽  
Copper Cation ◽  
Distorted Octahedral Geometry ◽  
Pyramidal Geometry ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Tetragonal Pyramidal ◽  
Nickel Cation ◽  
Axial Site

The structures of two mononuclear transition-metal complexes with tricyanomethanide (tcm−) and 1,4,7,10-tetraazacyclododecane (cyclen) ligands, [Ni(C4N3)2(C8H20N4)], (I), and [Cu(C4N3)(C8H20N4)](C4N3), (II), are reported. In the neutral complex (I), the nickel cation is coordinated by one cyclen ligand and two monodentate N-bound tcm−anions in a distorted octahedral geometry. The tcm−ligands are mutuallycis. The CuIIatom in (II) displays a distorted tetragonal–pyramidal geometry, with the four N-donor atoms of the cyclen ligand in the equatorial plane, and one tcm−anion bound through a single N atom in an axial site, forming a monocation. The second tcm−molecule acts as a counter-ion not directly coordinating to the copper cation. In both (I) and (II), extensive series of N—H...N and C—H...N hydrogen bonds generate three-dimensional network structures.

scholarly journals [μ-2,2′-(1,4-Phenylene)diacetato-κ2O1:O4]bis[aqua(2,2′-bipyridine-κ2N,N′)chloridocopper(II)] dihydrate

2012 ◽  
Vol 68 (8) ◽  
pp. m1114-m1114
Author(s):  
Jin-He Zhao ◽  
Yan-Xia Lin ◽  
Wei Wu ◽  
Zhong Zhang
Keyword(s):  
Water Molecule ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Center ◽  
Complex Molecules ◽  
Pyramidal Geometry ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Square Pyramidal Geometry ◽  
Cl Atom

In the centrosymmetric title compound, [Cu2(C10H8O4)Cl2(C10H8N2)2(H2O)2]·2H2O, the CuIIatom is five-coordinated in a distorted square-pyramidal geometry by two N atoms from a chelating 2,2′-bipyridine ligand, one O atom from a 1,4-phenylenediacetate ligand, one Cl atom and one water molecule. The 1,4-phenylenediacetate ligand, lying on an inversion center, bridges two CuIIatoms. In the crystal, O—H...O and O—H...Cl hydrogen bonds and π–π interactions between the pyridine rings [centroid–centroid distance = 3.740 (5) Å] link the complex molecules and uncoordinated water molecules into a three-dimensional network.

scholarly journals Bis(2,2′-bipyridine)[1,9-bis(diphenylphosphanyl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium]ruthenium(II) hexafluoridophosphate dibromide dichloromethane disolvate monohydrate

2013 ◽  
Vol 69 (12) ◽  
pp. m640-m641 ◽  
Author(s):  
Congcong Shang ◽  
Laure Vendier ◽  
Pierre Sutra ◽  
Alain Igau
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Solvent Molecules ◽  
Cl Atom

In the cation of the title complex, [Ru(C31H32N3P2)(C10H8N2)2](PF6)(Br)2·2CH2Cl2·H2O, the ruthenium ion is coordinated in a distorted octahedral geometry by two 2,2′-bipyridine (bpy) ligands and a chelating cationicN-diphenylphosphino-1,3,4,6,7,8-hexahydro-2-pyrimido[1,2-a]pyrimidine [(PPh2)2-hpp] ligand. The tricationic charge of the complex is balanced by two bromide and one hexafluoridophosphate counter-anions. The compound crystallized with two molecules of dichloromethane (one of which is equally disordered about a Cl atom) and a water molecule. In the crystal, one of the Br anions bridges two water moleculesviaO—H...Br hydrogen bonds, forming a centrosymmetric diamond-shapedR42(8) motif. The cation and anions and the solvent molecules are linkedviaC—H...F, C—H...Br, C—H...Cl and C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals 9-Aminoacridinium bis(pyridine-2,6-dicarboxylato-κ3 O 2,N,O 6)ferrate(III) tetrahydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m761-m762 ◽  
Author(s):  
Masoud Mirzaei ◽  
Hossein Eshtiagh-Hosseini ◽  
Ehsan Eydizadeh ◽  
Zakieh Yousefi ◽  
Krešimir Molčanov
Keyword(s):  
Water Clusters ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Anionic Complex ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Distorted Octahedral

The asymmetric unit of the title compound, (C13H11N2)[Fe(C7H3NO4)2]·4H2O, contains a 9-aminoacridinium cation, one anionic complex and four uncoordinated water molecules. In the anionic complex, the FeIII ion is six-coordinated by two almost perpendicular [dihedral angle = 88.78 (7)°] pyridine-2,6-dicarboxylate ligands in a distorted octahedral geometry. In the crystal, anions are connected into chains along [10-1] by weak C—H...O interactions, which create ten-membered hydrogen-bonded R 2 2(10) rings. These chains are linked by three-membered water clusters. The final three-dimensional network is constructed by numerous intermolecular O—H...O and N—H...O interactions.

scholarly journals Crystal structure of bis[(oxalato-κ2O1,O2)(1,4,8,11-tetraazacyclotetradecane-κ4N)chromium(III)] dichromate octahydrate from synchrotron X-ray data

2017 ◽  
Vol 73 (3) ◽  
pp. 403-406 ◽  
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
X Ray ◽  
Dimensional Network ◽  
Oxalate Ligand ◽  
Distorted Octahedral

The asymmetric unit of the title compound, [Cr(C2O4)(C10H24N4)]2[Cr2O7]·8H2O (C10H24N4= 1,4,8,11-tetraazacyclotetradecane, cyclam; C2O4= oxalate, ox) contains one [Cr(ox)(cyclam)]+cation, one half of a dichromate anion that lies about an inversion centre so that the bridging O atom is equally disordered over two positions, and four water molecules. The terminal O atoms of the dichromate anion are also disordered over two positions with a refined occupancy ratio 0.586 (6):0.414 (6). The CrIIIion is coordinated by the four N atoms of the cyclam ligand and one bidentate oxalato ligand in acisarrangement, resulting in a distorted octahedral geometry. The Cr—N(cyclam) bond lengths are in the range 2.069 (2)–2.086 (2) Å, while the average Cr—O(ox) bond length is 1.936 Å. The macrocyclic cyclam moiety adopts thecis-V conformation. The dichromate anion has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups and water O—H groups as donors, and the O atoms of oxalate ligand, water molecules and the Cr2O72−anion as acceptors, giving rise to a three-dimensional network.

scholarly journals Crystal structure oftrans-difluoridotetrakis(pyridine-κN)chromium(III) trichlorido(pyridine-κN)zincate monohydrate from synchrotron data

2014 ◽  
Vol 70 (11) ◽  
pp. 290-293 ◽  
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
Bond Lengths ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Cl Atoms

In the asymmetric unit of the title compound, [CrF2(C5H5N)4][ZnCl3(C5H5N)]·H2O, there are two independent complex cations, one trichlorido(pyridine-κN)zincate anion and one solvent water molecule. The cations lie on inversion centers. The CrIIIions are coordinated by four pyridine (py) N atoms in the equatorial plane and two F atoms in atransaxial arrangement, displaying a slightly distorted octahedral geometry. The Cr—N(py) bond lengths are in the range 2.0873 (14) to 2.0926 (17) Å while the Cr—F bond lengths are 1.8609 (10) and 1.8645 (10) Å. The [ZnCl3(C5H5N)]−anion has a distorted tetrahedral geometry. The Cl atoms of the anion were refined as disordered over two sets of sites in a 0.631 (9):0.369 (9) ratio. In the crystal, two anions and two water molecules are linkedviaO—H...Cl hydrogen bonds, forming centrosymmetric aggregates. In addition, weak C—H...Cl, C—H...π and π–π stacking interactions [centroid–centroid distances = 3.712 (2) and 3.780 (2)Å] link the components of the structure into a three-dimensional network.

scholarly journals Aqua(4-bromobenzoato-κO)bis(1,10-phenanthroline-κ2N,N′)manganese(II) 4-bromobenzoate dihydrate

IUCrData ◽  
2016 ◽  
Vol 1 (5) ◽  
Author(s):  
Ling-Xia Hu ◽  
Bi-Song Zhang
Keyword(s):  
Complex Cation ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Lattice Water ◽  
Dimensional Network ◽  
Distorted Octahedral

The asymmetric unit of the title compound, [Mn(C7H4BrO2)(C12H8N2)2(H2O)](C7H4BrO2)·2H2O, consists of a monovalent [Mn(C7H4BrO2)(C12H8N2)2(H2O)]+complex cation, a 4-bromobenzoate anion and two lattice water molecules. In the complex cation, the MnIIatom is coordinated by four N atoms from two bidentate chelating 1,10-phenanthroline (phen) ligands and two O atoms, one from a 4-bromobenzoate anion and the other from a coordinating water molecule. This completes an MnN4O2coordination sphere with a distorted octahedral geometry. The Br atom of the bromobenzoato ligand is equally disordered over two sites. In the crystal, the complex cations are connected to each otherviaO—H...O, O—H...Br and C—H...O hydrogen bonds and π–π stacking interactions [closest separation = 3.492 (4) Å]. π–π contacts [closest separation = 3.771 (4) Å] also link the complex cations to both the coordinated and non-coordinating 4-bromobenzoate anions. Overall, these contacts generate a three-dimensional network structure.

scholarly journals Aqua[2,2′-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylato)-κ4N3,O4:N3′,O4′](pyridine-κN)cobalt(II)–4,4′-bipyridine (1/1)

2012 ◽  
Vol 68 (8) ◽  
pp. m1109-m1110
Author(s):  
Wei Liu ◽  
Xia Li
Keyword(s):  
Crystal Packing ◽  
Octahedral Geometry ◽  
Mirror Plane ◽  
Distorted Octahedral Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Distorted Octahedral

In the title compound, [Co(C13H10N4O8)(C5H5N)(H2O)]·C10H8N2, the asymmetric unit comprises half a CoIIcomplex located on a mirror plane and half a cocrystallized molecule of 4,4′-bipyridine located on an inversion center. The CoIIion is six coordinate, with distorted octahedral geometry, ligated by two N atoms and two O atoms from a 2,2′-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylate) dianion, one N atom from a pyridine molecule and one coordinating water molecule. The Co—O bond lengths range from 2.076 (2) to 2.1441 (15) Å, while the Co—N bond lengths are 2.138 (3) and 2.1515 (17) Å. A two-dimensional network of N—H...O and O—H...N hydrogen bonds stabilizes the crystal packing. There are π–π interactions between the bipyridine and imidazole rings [centroid–centroid distance = 3.7694 (4) Å]. The propane-1,3-diyl group is disordered over two conformations, with refined occupancies of 0.755 (8) and 0.245 (8).

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