scholarly journals Tetra-μ3-iodido-tetrakis[(tri-n-butylphosphane-κP)copper(I)]

2014 ◽  
Vol 70 (4) ◽  
pp. m117-m118
Author(s):  
Simon Klenk ◽  
Wolfgang Frey ◽  
Martina Bubrin ◽  
Sabine Laschat
Keyword(s):  
Site Symmetry ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
Trigonal Bipyramidal ◽  
The Face ◽  
Symmetry Operators ◽  
Anisotropic Displacement Parameters ◽  
Axial Site ◽  
Geometric Consequence ◽  
Distorted Trigonal Bipyramidal

The title complex, [Cu4I4(C12H27P)4], crystallizes with six molecules in the unit cell and with three independent one-third molecule fragments, completed by application of the relevant symmetry operators, in the asymmetric unit. The tetranuclear copper core shows a tetrahedral geometry (site symmetry 3..). The I atoms also form a tetrahedron, with I...I distances of 4.471 (1) Å. Both tetrahedra show an orientation similar to that of a pair of self-dual platonic bodies. The edges of the I-tetrahedral structure are capped to the face centers of the Cu-tetrahedron andvice versa. The Cuface...I distances are 2.18 Å (averaged) and the Iface...Cu distances are 0.78 Å (averaged). As a geometric consequence of these properties there are eight distorted trigonal–bipyramidal polyhedra evident, wherein each trigonal face builds up the equatorial site and the opposite Cu...I positions form the axial site. As expected, then-butyl moieties are highly flexible, resulting in large elongations of their anisotropic displacement parameters. Some C atoms of then-butyl groups were needed to fix alternative discrete disordered positions.

scholarly journals Crystal structure refinement of magnesium zinc divanadate, MgZnV2O7, from powder X-ray diffraction data

2021 ◽  
Vol 77 (6) ◽  
pp. 588-591
Author(s):  
Stephanie J. Hong ◽  
Jun Li ◽  
Mas A. Subramanian
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Structure Refinement ◽  
Atomic Ratio ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Wyckoff Position ◽  
Distorted Trigonal Bipyramidal

The crystal structure of magnesium zinc divanadate, MgZnV2O7, was determined and refined from laboratory X-ray powder diffraction data. The title compound was synthesized by a solid-state reaction at 1023 K in air. The crystal structure is isotypic with Mn0.6Zn1.4V2O7 (C2/m; Z = 6) and is related to the crystal structure of thortveitite. The asymmetric unit contains two metal sites with statistically distributed magnesium and zinc atoms with the atomic ratio close to 1:1. One (Mg/Zn) metal site (M1) is located on Wyckoff position 8j and the other (M2) on 4h. Three V sites (all on 4i), and eight O (three 8j, four 4i, and one 2b) sites complete the asymmetric unit. The structure is an alternate stacking of V2O7 layers and (Mg/Zn) atom layers along [20\overline{1}]. It is distinct from other related structures in that each V2O7 layer consists of two groups: a V2O7 dimer and a V4O14 tetramer. Mixed-occupied M1 and M2 are coordinated by oxygen atoms in distorted trigonal bipyramidal and octahedral sites, respectively.

scholarly journals Poly[hydrazin-1-ium [diaquabis(μ4-pyridazine-3,6-dicarboxylato)trilithate] monohydrate]

2012 ◽  
Vol 68 (4) ◽  
pp. m496-m497 ◽  
Author(s):  
Wojciech Starosta ◽  
Janusz Leciejewicz
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Water Molecules ◽  
Extended System ◽  
Tetrahedral Geometry ◽  
Crystal Water ◽  
Distorted Tetrahedral Geometry ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal

The structure of the title compound, {(N2H5)[Li3(C6H2N2O4)2(H2O)2]·H2O}n, is composed of molecular dimers, each built up of two symmetry-related LiIions with distorted trigonal–bipyramidal coordinations bridged by two deprotonated ligand moleculesviatheirN,O-bonding sites. Doubly solvated LiIions with a distorted tetrahedral geometry link adjacent dimers, forming a polymer generated by bridging bidentate carboxylato O atoms to LiIions in adjacent dimers, forming anionic layers parallel to theacplane with monoprotonated hydrazinium cations and crystal water molecules positioned between them. The layers are held together by an extended system of hydrogen bonds in which the hydrazinium cations and coordinated and crystal water molecules act as donors and carboxylate O atoms act as acceptors.

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 Poly[(μ3-5-hydroxyisophthalato)[μ2-1,1′-(1,4-phenylene)bis(1H-imidazole)]copper]

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
Hong-Hong Tao ◽  
Yu-Han Chen ◽  
Ya-Sai Liu ◽  
Zhuo-Ga Deji
Keyword(s):  
Three Dimensional ◽  
Dimensional Structure ◽  
Supramolecular Network ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Bridging Ligands ◽  
Trigonal Bipyramidal ◽  
A Chain ◽  
Organic Linker ◽  
Distorted Trigonal Bipyramidal

The title compound, [Cu(C8H4O5)(C12H10N4)]n, was obtained by the reaction of copper(II) nitrate hydrate, with the OH-BDC organic linker and bib molecules [OH-BDC = 5-hydroxyisophthalic acid and bib = 1,4-bis(imidazol-1-yl)benzene]. The asymmetric unit comprises one CuIIcation, one OH-BDC−2dianion and a bib ligand. The CuIIion is coordinated by three carboxylate O atoms and two bib-N atoms, all from bridging ligands, to form a slightly distorted trigonal–bipyramidal geometry. The CuIIions are bridged by OH-BDC−2ligands, forming a chain along the [100] direction; the chains are connected by bib molecules to form a two-dimensional net. In topological terms, considering the CuIIatoms as nodes and the OH-BDC−2ligands as linkers, the two-dimensional structure can be simplified as a typical 2-nodal 3,5 L2 plane network. The crystal structure features O—H...O hydrogen bonds between OH-BDC−2anions, resulting in a three-dimensional supramolecular network.

scholarly journals Hypercoordinated Organotin(IV) Compounds Containing ĸ²-C,O- And ĸ²,N- Chelating Ligands: Synthesis, Characterization, and Polymerization Behaviour

2021 ◽  
Author(s):  
Julie Loungxay
Keyword(s):  
Molecular Weight ◽  
Low Molecular Weight ◽  
Condensation Polymerization ◽  
Tetrahedral Geometry ◽  
X Ray ◽  
Distorted Tetrahedral Geometry ◽  
Trigonal Bipyramidal ◽  
Alternative Approach ◽  
Dimethyl Amine ◽  
Distorted Trigonal Bipyramidal

Rigid homopolystannanes and alternating polystannanes containing a benzyl methoxy ether (C,O) or benzyl dimethyl amine (C,N) ligand were prepared using either a direct approach, lithiation and transmetallation, or an alternative approach, either sequential chlorinations or brominations. X-ray crystallographic studies of 41 and 45 were conducted to find 41 in a distorted tetrahedral geometry with moderate hypercoordinate interaction (Sn-N: 2.917 Å) while 45 in a distorted trigonal bipyramidal with strong hypercoordinate interaction (Sn-N: 2.403 Å). Hydrogenation of 31 and 33 produced 42 and 43 in moderate-to-good yields. Dehydrocoupling polymerization produced modest molecular weight, rigid C,O- (Mw = 3.03 × 10⁴ Da, PDI: 1.4) and C,N- (Mw = 3.10 × 10⁴ Da, PDI: 1.82) homopolymers 56 and 57. Finally, condensation polymerization was attempted to produce low molecular weight (Mw = 1.30 × 10⁴ Da, PDI: 2.0) C,O- alternating polymer 60 and oligomer 61 (Mw = 0.92 × 10⁴ Da, PDI: 2.71).

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.

scholarly journals Redetermination of Dy3Ni from single-crystal X-ray data

2013 ◽  
Vol 69 (11) ◽  
pp. i80-i80
Author(s):  
Volodymyr Levytskyy ◽  
Volodymyr Babizhetskyy ◽  
Bohdan Kotur ◽  
Volodymyr Smetana
Keyword(s):  
Single Crystal ◽  
Structure Type ◽  
Site Symmetry ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
X Ray ◽  
Wyckoff Position ◽  
Tricapped Trigonal Prism ◽  
Anisotropic Displacement Parameters

The classification of the title compound, tridysprosium nickel, into the Fe3C (or Al3Ni) structure type has been deduced from powder X-ray diffraction data with lattice parameters reported in a previous study [Lemaire & Paccard (1967).Bull. Soc. Fr. Mineral. Cristallogr.40, 311–315]. The current re-investigation of Dy3Ni based on single-crystal X-ray data revealed atomic positional parameters and anisotropic displacement parameters with high precision. The asymmetric unit consists of two Dy and one Ni atoms. One Dy atom has site symmetry .m. (Wyckoff position 4c) and is surrounded by twelve Dy and three Ni atoms. The other Dy atom (site symmetry 1, 8d) has eleven Dy and three Ni atoms as neighbours, forming a distorted Frank–Kasper polyhedron. The coordination polyhedron of the Ni atom (.m., 4c) is a tricapped trigonal prism formed by nine Dy atoms.

scholarly journals Dimanganese(II) hydroxide vanadate, Mn2(OH)[VO4]

2014 ◽  
Vol 70 (7) ◽  
pp. i33-i33 ◽  
Author(s):  
Kewen Sun ◽  
Angela Möller
Keyword(s):  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Site Symmetry ◽  
Point Group Symmetry ◽  
Distorted Octahedral Coordination ◽  
Trigonal Bipyramidal ◽  
Distorted Octahedral ◽  
Coordination Spheres ◽  
Distorted Trigonal Bipyramidal

Dimanganese(II) hydroxide vanadate was obtained from hydrothermal reactions. The crystal structure of the title compound is isotypic with that of Zn2(OH)[VO4]. Three crystallographically independent Mn2+ions are present, one (site symmetry .m.) with a distorted trigonal-bipyramidal and two (site symmetries .m. and 1) with distorted octahedral coordination spheres. These polyhedra are linked through common edges, forming a corrugated layer-type of structure extending parallel to (100). A three-dimensional framework resultsviaadditional Mn—O—V—O—Mn connectivities involving the two different tetrahedral [VO4] units (each with point-group symmetry .m.). O—H...O hydrogen bonds (one bifurcated) between the OH functions (both with point-group symmetry .m.) and the [VO4] units complete this arrangement.

scholarly journals Crystal structure of {6,6′-dihydroxy-2,2′-[iminobis(propane-1,3-diylnitrilomethanylylidene)]diphenolato-κ5O1,N,N′,N′′,O1′}copper(II)

2015 ◽  
Vol 71 (11) ◽  
pp. m203-m204
Author(s):  
Shabana Noor ◽  
Sarvendra Kumar ◽  
Suhail Sabir ◽  
Rüdiger W. Seidel ◽  
Richard Goddard
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Asymmetric Unit ◽  
Bond Forming ◽  
Trigonal Bipyramidal ◽  
Column Structure ◽  
Independent Molecules ◽  
Distorted Trigonal Bipyramidal

The title compound, [Cu(C20H23N3O4)], crystallizes in the space groupCcwith two independent molecules in the asymmetric unit. The CuIIatoms are each coordinated by the pentadentate Schiff base ligand in a distorted trigonal bipyramidal N3O2geometry. The equatorial plane is formed by the two phenolic O atoms and the amine N atom, while the axial positions are occupied by the two imine N atoms. In the crystal, the two independent molecules are each connected into a column along thebaxis through intermolecular O—H...O hydrogen bonds. The two independent columns are further linked through an N—H...O hydrogen bond, forming a double-column structure.

scholarly journals Bis[μ-2-(2H-benzotriazol-2-yl)-4-methylphenolato]bis[dimethylaluminium(III)]

2009 ◽  
Vol 65 (6) ◽  
pp. m670-m670 ◽  
Author(s):  
Chen-Yu Li ◽  
Chia-Her Lin ◽  
Bao-Tsan Ko
Keyword(s):  
Title Complex ◽  
Methyl Groups ◽  
Asymmetric Unit ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal

The title complex, [Al2(CH3)4(C13H10N3O)2], is dimeric, bridged through the O atoms of the phenolate anions. The asymmetric unit contains one half of the molecule and there is a crystallographic inversion centre in this molecule. Each Al atom is pentacoordinated by one N atom and two bridging O atoms of twoN,O-bidentate benzotriazolylphenolate ligands and by two C atoms from two methyl groups, forming a distorted trigonal–bipyramidal environment.

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