scholarly journals Crystal structure of tetrakis[μ-3-carboxy-1-(1,2,4-triazol-4-yl)adamantane-κ2 N 1:N 2]tetrafluoridodi-μ2-oxido-dioxidodisilver(I)divanadium(V) tetrahydrate

2019 ◽  
Vol 75 (6) ◽  
pp. 808-811 ◽  
Author(s):  
Ganna A. Senchyk ◽  
Andrey B. Lysenko ◽  
Eduard B. Rusanov ◽  
Kostiantyn V. Domasevitch
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Functional Group ◽  
Crystal Packing ◽  
Water Molecules ◽  
Coordination Environment ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Acid Functional Group ◽  
Distorted Trigonal Bipyramidal

The crystal structure of the title molecular complex, [Ag2{VO2F2}2(C13H17N3O2)4]·4H2O, supported by the heterofunctional ligand tr-ad-COOH [1-(1,2,4-triazol-4-yl)-3-carboxyadamantane] is reported. Four 1,2,4-triazole groups of the ligand link two AgI atoms, as well as AgI and VV centres, forming the heterobimetallic coordination cluster {AgI 2(VVO2F2)2(tr)4}. VV exists as a vanadium oxofluoride anion and possesses a distorted trigonal–bipyramidal coordination environment [VO2F2N]. A carboxylic acid functional group of the ligand stays in a neutral form and is involved in hydrogen bonding with solvent water molecules and VO2F2 − ions of adjacent molecules. The extended hydrogen-bonding network is responsible for the crystal packing in the structure.

scholarly journals Sodium selenite pentahydrate, Na2SeO3·5H2O

2013 ◽  
Vol 69 (11) ◽  
pp. i77-i78 ◽  
Author(s):  
Kurt Mereiter
Keyword(s):  
Crystal Structure ◽  
Sodium Selenite ◽  
Crystal Packing ◽  
Rotation Axis ◽  
The Other ◽  
Octahedral Coordination ◽  
Mirror Plane ◽  
Water Molecules ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal

In the crystal structure of Na2SeO3·5H2O [disodium selenate(IV) pentahydrate], two Se, two selenite O atoms and one water O atom are located on a mirror plane, and one water O atom is located on a twofold rotation axis. The coordination of one Na+cation is distorted trigonal bipyramidal, formed by three equatorial H2O ligands and two axial selenite O atoms. The other Na+cation has an octahedral coordination by six water molecules. The two independent SeO3groups form almost undistorted trigonal pyramids, with Se—O bond lengths in the range 1.6856 (7)–1.7202 (10) Å and O—Se—O angles in the range 101.98 (3)–103.11 (5)°, and both are μ2-O:O-bonded to a pair of Na+cations. Hydrogen bonds involving all water molecules and selenite O atoms consolidate the crystal packing. Although anhydrous Na2SeO3and Na2TeO3are isotypic, the title compound is surprisingly not isotypic with Na2TeO3·5H2O. In the tellurite hydrate, all Na+cations have an octahedral coordination and the TeO3groups are bonded to Na+onlyviaone of their three O atoms.

scholarly journals Crystal structure of poly[[aqua(μ-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylato-κ2O5:O7)[μ-di(pyridin-4-yl)sulfane-κ2N:N′]zinc] 0.26-hydrate]

2017 ◽  
Vol 73 (3) ◽  
pp. 375-377
Author(s):  
Wen-Liang Wu ◽  
Bing Hu
Keyword(s):  
Crystal Structure ◽  
Coordination Environment ◽  
Zinc Cation ◽  
Ethylene Bridge ◽  
Pyridine Ligands ◽  
Trigonal Bipyramidal ◽  
Hydrogen Bonding Interactions ◽  
Carboxylate Groups ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Distorted Trigonal Bipyramidal

The crystal structure of the title polymer, {[Zn(C8H4O6S)(C10H8N2S)(H2O)]·0.26H2O}n, is characterized by a layered arrangement parallel to theabplane. The zinc cation is five-coordinated in a slightly distorted trigonal–bipyramidal coordination environment defined by two pyridine ligands, two carboxylate groups of two thiophene dicarboxylate ligands, and by one water molecule. The ethylene bridge in the dioxine ligand is disordered over two sets of sites [occupancy ratio 0.624 (9):0.376 (9)]. Several hydrogen-bonding interactions of the types O—H...O, C—H...O, C—H...S and C—H...N ensure the cohesion within the crystal structure.

scholarly journals Crystal structure and Hirshfeld surface analysis of aquabis(nicotinamide-κN1)bis(2,4,6-trimethylbenzoato-κO)zinc

2017 ◽  
Vol 73 (9) ◽  
pp. 1348-1352 ◽  
Author(s):  
Tuncer Hökelek ◽  
Gülçin Şefiye Aşkın ◽  
Safiye Özkaya ◽  
Hacali Necefoğlu
Keyword(s):  
Crystal Structure ◽  
Surface Analysis ◽  
Crystal Packing ◽  
Rotation Axis ◽  
Complex Molecule ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Distorted Trigonal Bipyramidal

The asymmetric unit of the title complex, [Zn(C10H11O2)2(C6H6N2O)2(H2O)], contains one half of the complex molecule, and the ZnIIcation and the water O atom lie on a twofold rotation axis. The ZnIIcation is coordinated by two carboxylate O atoms of the two symmetry-related 2,4,6-trimethylbenzoate (TMB) anions and by the water O atom at distances of 2.0311 (16) and 2.076 (2) Å to form a slightly distorted trigonal–planar arrangement, while the distorted trigonal–bipyramidal coordination sphere is completed by the two pyridine N atoms of the two symmetry-related monodentate nicotinamide (NA) ligands at distances of 2.2066 (19) Å in the axial positions. In the crystal, molecules are linkedviaintermolecular N—H...O and O—H...O hydrogen bonds withR22(12),R33(10) andR33(16) ring motifs, forming a double-column structure running along thec-axis direction. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H...H (58.4%), H...C/C...H (20.3%) and H...O/O...H (18.3%) interactions.

Chloridobis(1,10-phenanthroline-κ2 N,N′)copper(I) hexahydrate

2007 ◽  
Vol 63 (3) ◽  
pp. m826-m828 ◽  
Author(s):  
H. Zhong ◽  
X.-R. Zeng ◽  
X.-M. Yang ◽  
Q.-Y. Luo ◽  
S.-Z. Xiao
Keyword(s):  
Three Dimensional ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
Rotation Axes ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Cl Atom ◽  
Phenanthroline Ligands ◽  
Distorted Trigonal Bipyramidal

The CuI atom in the title complex, [CuCl(C12H8N2)2]·6H2O, exists in a distorted trigonal-bipyramidal coordination geometry defined by one Cl atom and four N atoms of two 1,10-phenanthroline ligands. In the crystal structure, molecules are linked into a three-dimensional framework by O—H...O hydrogen bonds and π–π stacking interactions. Four water molecules lie on crystallographic twofold rotation axes.

scholarly journals (μ-Dihydrogen pyrazine-2,3,5,6-tetracarboxylato-κ6O2,N1,O6;O3,N4,O5)bis(diaqualithium) monohydrate

2014 ◽  
Vol 70 (5) ◽  
pp. m172-m172 ◽  
Author(s):  
Wojciech Starosta ◽  
Janusz Leciejewicz
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Water Molecules ◽  
Crystal Water ◽  
Rotation Axes ◽  
Trigonal Bipyramidal ◽  
Carboxylate Groups ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Network Of Hydrogen Bonds ◽  
Distorted Trigonal Bipyramidal

The structure of the title compound, [Li2(C8H2N2O8)(H2O)4]·H2O, is composed of dinuclear molecules in which the ligand bridges two symmetry-related LiIions, each coordinated also by two water O atoms, in anO,N,O′-manner. The Li and N atoms occupy special positions on twofold rotation axes, whereas a crystal water molecule is located at the intersection of three twofold rotation axes. The LiIcation shows a distorted trigonal–bipyramidal coordination. Two carboxylate groups remain protonated and form short interligand hydrogen bonds. The molecules are held together by a network of hydrogen bonds in which the coordinating and solvation water molecules act as donors and carboxylate O atoms as acceptors, forming a three-dimensional architecture.

scholarly journals Crystal structure ofcatena-poly[[chlorido(4,4′-dimethyl-2,2′-bipyridine-κ2N,N′)copper(II)]-μ-chlorido]

2015 ◽  
Vol 71 (6) ◽  
pp. 624-627
Author(s):  
Rafaela Nita ◽  
Jeffrey R. Deschamps ◽  
Scott A. Trammell ◽  
D. Andrew Knight
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Trigonal Bipyramidal Geometry ◽  
Trigonal Bipyramidal ◽  
Bipyridine Ligand ◽  
Cl Atoms ◽  
Cl Atom ◽  
Distorted Trigonal Bipyramidal

The title compound, [CuCl2(C12H12N2)]n, was obtainedviaa DMSO-mediated dehydration of Cu(4,4′-dimethyl-2,2′-bipyridine)copper(II)·0.25H2O. The central CuIIatom is coordinated in a distorted trigonal–bipyramidal geometry by two N atoms of a chelating 4,4′-dimethyl-2,2′-bipyridine ligand [average Cu—N = 2.03 (3) Å] and three Cl atoms, one terminal with a short Cu—Cl bond of 2.2506 (10) Å, and two symmetry-equivalent and bridging bonds. The bridging Cl atom links the CuIIions into chains parallel to [001]viaone medium and one long Cu—Cl bond [2.3320 (10) and 2.5623 (9) Å]. The structure displays both inter- and intramolecular C—H...Cl hydrogen bonding.

scholarly journals Crystal structure of tricarbonyl(N-diphenylphosphanyl-N,N′-diisopropyl-P-phenylphosphonous diamide-κ2P,P′)cobalt(I) tetracarbonylcobaltate(−I) toluene 0.25-solvate

2014 ◽  
Vol 70 (12) ◽  
pp. 533-535
Author(s):  
Laura Dura ◽  
Anke Spannenberg ◽  
Torsten Beweries
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Structural Element ◽  
Trigonal Bipyramidal ◽  
Toluene Molecule ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Interionic Hydrogen ◽  
Distorted Trigonal Bipyramidal

The asymmetric unit of the title compound, [Co(C24H30N2P2)(CO)3][Co(CO)4]·0.25C7H8, consists of two crystallographically independent cations with similar conformations, two anions, and one-half of a toluene molecule disordered about an inversion centre. In the cations, a Co/P/N/P four-membered slightly bent metallacycle is the key structural element. The pendant NH group is not coordinated to the CoIatom, which displays a distorted trigonal–bipyramidal coordination geometry. Weak interionic hydrogen bonds are observed between the NH groups and a carbonyl group of the tetrahedral [Co(CO)4]−anions.

scholarly journals Crystal structure of a mixed-valence μ-oxide Sn12cluster

2014 ◽  
Vol 70 (11) ◽  
pp. m378-m379 ◽  
Author(s):  
Marina M. Kireenko ◽  
Kirill V. Zaitsev ◽  
Sergey S. Karlov ◽  
Mikhail P. Egorov ◽  
Andrei V. Churakov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Complex Molecule ◽  
Mixed Valence ◽  
Asymmetric Unit ◽  
Coordination Numbers ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Solvent Molecules ◽  
Distorted Trigonal Bipyramidal

The mixed-valence μ-oxide Sn12cluster, decacarbonyltetra-μ4-oxido-hexa-μ3-oxido-tetrakis[μ-2,2′-(pyridine-2,6-diyl)bis(1,1-diphenylethanolato)]decatin(II)ditin(IV)dimolybdenum(O)(2Mo—Sn) toluene heptasolvate, [Mo2Sn12(C33H27NO2)4O10(CO)10]·7C7H8, has a crystallographically imposed inversion centre. The asymmetric unit also contains three and a half toluene solvent molecules, one of which is disordered about a centre of symmetry. The complex molecule comprises six distinct Sn atom species with four different coordination numbers, namely 3, 4, 5, and 6. The SnIIatoms forming the central Sn10O10core adopt distorted trigonal–pyramidal, square-pyramidal and octahedral coordination geometries provided by the μ-oxide atoms and by the O- and N-donor atoms of two pyridinediethanolate ligands. The terminal SnIVatoms have distorted trigonal–bipyramidal coordination geometries, with a μ4-oxide atom and the N atom of a pyridinediethanolate ligand occupying the axial positions, and the Mo atom of a Mo(CO)5group and the alkoxy O atoms of a ligand forming the equatorial plane. In the crystal, weak intra- and intermolecular C—H...O hydrogen bonds are observed.

Komplexe Alkalimetall-carbonat-hydrogencarbonate mit fünffach koordiniertem Zink: NaA2{Zn2[H(CO3)2](CO3)2(H2O)2} mit A = K, Rb / Complex Alkalimetal-carbonates-hydrogencarbonates with Penta-Coordinated Zinc: NaA2{Zn2[H(CO3)2](CO3)2(H2O)2] with A = K, Rb

1995 ◽  
Vol 50 (8) ◽  
pp. 1185-1194 ◽  
Author(s):  
Yue Qing Zheng ◽  
Arnold Adam
Keyword(s):  
Crystal Structure ◽  
Water Molecules ◽  
Vibrational Modes ◽  
Two Dimensional ◽  
Simultaneous Presence ◽  
Monoclinic System ◽  
Rubidium Atoms ◽  
Trigonal Bipyramidal ◽  
Potassium Compound ◽  
Distorted Trigonal Bipyramidal

The new alkalimetal-hydrogenbis(carbonato)-bis(carbonato)complexes with penta-coordinated zinc atoms, NaA2{Zn2[H(CO3)2](CO3)2(H2O)2} with A = Kor Rb, crystallize in the monoclinic system, P21/n (no. 14), Z = 2 with a = 1057,9(1), b = 1102,2(1), c = 514,9(1) pm, β = 92,94(1)°, VEZ = 599,6(2) · 106 pm3, R = 0,052, Rw = 0,029 for the potassium compound and with a = 1068,2(2), b = 1131,6(4), c = 518,6(1) pm, β = 92,07(1)°, VEZ = 626,4(4)·106 pm3, R = 0,050, Rw = 0,028 for the rubidium compound. These compounds are the first to be structurally characterized with a simultaneous presence of discrete [H(CO3)2]3-and CO32- anions. The crystal structure of the isostructural compounds contains two-dimensional infinite {Zn2[H(CO3)2](CO3)2(H2O)2} layers parallel [1 0 1] with zinc coordinated in a slightly distorted trigonal-bipyramidal geometry. The layers are held together by hydrogen bonds from water molecules to oxygen atoms of the carbonato groups in adjacent layers. Potassium or rubidium atoms are located between the layers, and sodium atoms in smaller vacancies within the layers. The hydrogen bond of the [H(CO3)2]3- anion is very short, O···O: 247,4(2) pm (K) and 246,9(5) pm (Rb). The carbonate groups in both compounds exhibit significant deviations from D3h symmetry in accordance with the vibrational modes observed in the IR spectra. The thermal behaviour of the potassium compound is also reported.

scholarly journals Crystal structure of tris(dimethylamido-κN)bis(dimethylamine-κN)zirconium(IV) iodide

2016 ◽  
Vol 72 (1) ◽  
pp. 73-75 ◽  
Author(s):  
Wesley D. Clark ◽  
Gopalakrishna Akurathi ◽  
Henry U. Valle ◽  
T. Keith Hollis
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Solid Oxide Fuel Cells ◽  
Solid Oxide ◽  
Coordination Geometry ◽  
Oxide Fuel ◽  
Trigonal Bipyramidal ◽  
Zirconium Complexes ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Distorted Trigonal Bipyramidal

Zirconium amides have become increasingly popular and useful due to their widespread use as precursors to other zirconium complexes and their use in the production of solid oxide fuel cells (SOFCs). Herein we report the molecular structure of tris(dimethylamido)bis(dimethylamine)zirconium(IV) iodide, [Zr(C2H6N)3(C2H7N)2]I. The bond lengths and bond angles are consistent with a slightly distorted trigonal–bipyramidal coordination geometry around the metal atom. N...I contacts of 3.6153 (15) and 3.5922 (14) Å are consistent with the presence of N—H...I interactions. These N—H...I interactions link the complex cations and iodide anions into extended chains that propagate parallel to theaaxis.

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