scholarly journals Di-μ-chlorido-bis{[2-(di-tert-butylphosphanyl)biphenyl-3-yl-κ2C3,P]palladium(II)} dichloromethane disolvate

2013 ◽  
Vol 69 (2) ◽  
pp. m86-m86 ◽  
Author(s):  
Cedric W. Holzapfel ◽  
Bernard Omondi
Keyword(s):  
Palladium Complex ◽  
Solvent Molecule ◽  
Membered Ring ◽  
The Other ◽  
Coordination Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Coordination Sites ◽  
Square Planar ◽  
Cl Atoms

The asymmetric unit of the title compound, [Pd2Cl2(C20H26P)2]·2CH2Cl2, contains one half-molecule of the palladium complex and a dichloromethane solvent molecule. In the complex, two PdIIatoms are bridged by two Cl atoms, with the other two coordination sites occupied by a C atom of the biphenyl system and a P atom, resulting in a distorted square-planar coordination geometry of the PdIIatom and a cyclometallated four-membered ring. The Pd2Cl2unit is located about an inversion center. The planes of the rings of the biphenyl system make a dihedral angle of 66.36 (11)°.

scholarly journals Dichlorido(5,10,15,20-tetraphenylporphyrinato-κ4 N)antimony(V) hemi{di-μ-chlorido-bis[trichloridoantimonate(III)]} dichloromethane monosolvate

2012 ◽  
Vol 68 (6) ◽  
pp. m717-m718 ◽  
Author(s):  
Raoudha Soury ◽  
Mohamed Sahah Belkhiria ◽  
Habib Nasri ◽  
Masood Parvez
Keyword(s):  
Complex Cation ◽  
Solvent Molecule ◽  
Chloride Ions ◽  
Title Complex ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Counter Anion ◽  
Wide Range ◽  
Solvent Molecules ◽  
Cl Atoms

The asymmetric unit of the title complex, [Sb(C44H28N4)Cl2][Sb2Cl8]0.5·CH2Cl2, is composed of a SbV complex cation wherein the Sb atom is hexacoordinated by four N atoms of the pyrrole rings of the tetraphenylporphyrinate (TPP) ligands and two chloride ions, a half di-μ-chlorido-bis[trichloridoantimonate(III)] counter-anion and a dichloromethane solvent molecule. In the cation, the average Sb—N distance is 2.066 (2) Å, while the Sb—Cl distances are 2.3410 (11) and 2.3639 (12) Å. The central unit of the cation, SbN4C20, is far from being planar, with deviations of atoms from the least-squares plane ranging from −0.110 (4) to 0.124 (4) Å. The Sb—Cl distances in the anion, which is located about an inversion center, lie in the wide range 2.3715 (13)–2.7489 (13) Å, the longest distances being between the Sb and bridging Cl atoms. The crystal structure is stabilized by intermolecular C—H...Cl interactions involving the cations, the anions and the solvent molecules. The solvent molecule is disordered over two orientations in a 0.901 (13):0.099 (13) ratio.

scholarly journals Bis(μ2-benzoato-κ2 O,O′)bis(benzoato-κO)bis(ethanol-κO)bis(μ3-hydroxido)hexakis(μ-pyrazolato-κ2 N,N′)hexacopper(II) ethanol disolvate

IUCrData ◽  
2019 ◽  
Vol 4 (9) ◽  
Author(s):  
Marisol Ledezma-Gairaud ◽  
Leslie W. Pineda
Keyword(s):  
Hydrogen Bonding ◽  
Solvent Molecule ◽  
The Other ◽  
Hydroxyl Group ◽  
Asymmetric Unit ◽  
Coordination Environment ◽  
Hydrogen Bonding Interactions ◽  
Carboxylate Groups ◽  
Square Planar ◽  
Supramolecular Arrangements

Trinuclear copper–pyrazolate entities are present in various Cu-based enzymes and nanojar supramolecular arrangements. The reaction of copper(II) chloride with pyrazole (pzH) and sodium benzoate (benzNa) assisted by microwave radiation afforded a neutral centrosymmetric hexanuclear copper(II) complex, [Cu6(C7H5O2)4(OH)2(C3H3N2)6(C2H5OH)2]·2C2H5OH. Half a molecule is present in the asymmetric unit that comprises a [Cu3(μ3-OH)(pz)3]2+ core with the copper(II) atoms arranged in an irregular triangle. The three copper(II) atoms are bridged by an O atom of the central hydroxyl group and by three bridging pyrazolate ligands on each of the sides. The carboxylate groups show a chelating mode to one and a bridging syn,syn mode to the other two CuII atoms. The coordination environment of one CuII atom is square-planar while it is distorted square-pyramidal for the other two. Two ethanol molecules are present in the asymmetric unit, one binding to one of the CuII atoms, one as a solvent molecule. In the crystal, stabilization arises from intermolecular O—H...O hydrogen-bonding interactions.

scholarly journals Bis{2-methoxy-6-[(E)-(4-methylbenzyl)iminomethyl]phenolato}palladium(II) chloroform monosolvate

2014 ◽  
Vol 70 (8) ◽  
pp. m289-m290 ◽  
Author(s):  
Hadariah Bahron ◽  
Amalina Mohd Tajuddin ◽  
Wan Nazihah Wan Ibrahim ◽  
Suchada Chantrapromma ◽  
Hoong-Kun Fun
Keyword(s):  
Solvent Molecule ◽  
Title Complex ◽  
The Other ◽  
Planar Geometry ◽  
Inversion Center ◽  
Complex Molecules ◽  
Square Planar ◽  
Solvent Molecules ◽  
Cl Atom ◽  
Full Occupancy

In the title complex, [Pd(C16H16NO2)2]·CHCl3, the PdIIcation lies on an inversion center. One Cl atom of the CHCl3solvent molecule lies on a twofold axis and the C—H group is disordered with equal occupancies about this axis with the other Cl atom in a general position with full occupancy. The PdIIcation is four-coordinate and adopts a square-planar geometryviacoordination of the imine N and phenolic O atoms of the two bidentate Schiff base anions. The N and O atoms of these ligands are mutuallytrans. The plane of the benzene ring makes a dihedral angle of 73.52 (10)° with that of the methoxyphenolate ring. In the crystal, molecules of the PdIIcomplex are arranged into sheets parallel to theacplane, and the chloroform solvent molecules are located in the interstitial areas between the complex molecules. Weak intermolecular C—H...O and C—H...π interactions stabilize the packing.

scholarly journals Crystal structure of 8-iodoquinolinium tetrachloridoaurate(III)

2015 ◽  
Vol 71 (12) ◽  
pp. m261-m262
Author(s):  
Benard O. Onserio ◽  
Sem Raj Tamang ◽  
James D. Hoefelmeyer
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Square Planar ◽  
Aurophilic Interactions ◽  
Cl Atoms ◽  
Short Contacts

The structure of the title salt, (C9H7IN)[AuCl4], is comprised of planar 8-iodoquinolinium cations (r.m.s. deviation = 0.05 Å) and square-planar tetrachloridoaurate(III) anions. The asymmetric unit contains one 8-iodoquinolinium cation and two halfs of [AuCl4]−anions, in each case with the central AuIIIatom located on an inversion center. Intermolecular halogen–halogen contacts were found between centrosymmetric pairs of I [3.6178 (4) Å] and Cl atoms [3.1484 (11), 3.3762 (13), and 3.4935 (12) Å]. Intermolecular N—H...Cl and C—H...Cl hydrogen bonding is also found in the structure. These interactions lead to the formation of a three-dimensional network. Additionally, there is an intramolecular N—H...I hydrogen bond between the aromatic iminium and iodine. There are no aurophilic interactions or short contacts between I and Au atoms, and there are no notable π-stacking interactions between the aromatic cations.

Characterization and Crystal Structure of a Novel Two-dimensional Coordination Polymer: [Ni(bpdc)(bix)1.5·H2O]n

2011 ◽  
Vol 66 (7) ◽  
pp. 681-684
Author(s):  
Lin Heng Wei ◽  
Zi-Liang Wang ◽  
Ming-Xue Li
Keyword(s):  
Coordination Polymer ◽  
Layer Structure ◽  
Membered Ring ◽  
The Other ◽  
Two Dimensional ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Coordination Environment ◽  
One Dimensional ◽  
Oxygen Atoms

The two-dimensional coordination polymer [Ni(bpdc)(bix)1.5 ·H2O]n (H2bpdc = 2,4’-biphenyldicarboxylic acid; bix = 1,4-bis(imidazol-1-ylmethyl)benzene) was hydrothermally synthesized and structurally characterized. In the tile compound, the octahedral coordination environment around the Ni2+ ion is established by two oxygen atoms from two bpdc2− anions, one water molecule and three nitrogen atoms from three bix ligands. One bix ligand in the asymmetric unit lies on an inversion center at 1, 0.5, 0.5, and the other bix molecule resides on a general position. Each of the two bix molecules is coordinated to four Ni2+ ions, forming a 52-membered ring which is further assembled into a one-dimensional tape structure running parallel to the [100] direction. By a combination of the O2 and O4 oxygen atoms of one bpdc2− anion coordinating two Ni2+ ions, adjacent tapes are joined together, forming a layer structure parallel to the (010) plane. A 22-membered ring is formed by means of two bpdc anions binding to two Ni2+ ions.

scholarly journals Triphenyltelluronium(IV) bromide acetone hemisolvate

2013 ◽  
Vol 69 (11) ◽  
pp. o1666-o1666 ◽  
Author(s):  
Sari M. Närhi ◽  
Raija Oilunkaniemi ◽  
Risto S. Laitinen
Keyword(s):  
Title Compound ◽  
Solvent Molecule ◽  
Site Occupancy ◽  
The Other ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Phenyl Rings ◽  
Coordination Spheres ◽  
Secondary Bonding

The asymmetric unit of the title compound, 2C18H15Te+·2Br−·C3H6O or Ph3TeBr·0.5Me2CO, contains two crystallographically independent triphenyltelluronium cations, two bromide anions, and one disordered [site-occupancy ratio = 0.581 (7):0.419 (7)] solvent molecule. Interionic Te...Br interactions connect the cations and anions into a tetrameric step-like structure. The primary coordination spheres of both Te atoms are TeC3trigonal pyramids: three short secondary tellurium–bromine interactions expand the coordination geometry of one of the Te atoms to an octahedron. While the other Te atom shows only two Te...Br secondary bonding interactions, it is also six-coordinated due to a Te...π interaction [3.769 (2) Å] with one of the phenyl rings of the adjacent cation.

scholarly journals A one-dimensional coordination polymer, catena-poly[[[[N-ethyl-N-(pyridin-4-ylmethyl)dithiocarbamato-κ2 S,S′]zinc(II)]-μ2-N-ethyl-N-(pyridin-4-ylmethyl)dithiocarbamato-κ3 S,S′:N] 4-methylpyridine hemisolvate]

2017 ◽  
Vol 73 (8) ◽  
pp. 1162-1166 ◽  
Author(s):  
Pavel Poplaukhin ◽  
Hadi D. Arman ◽  
Edward R. T. Tiekink
Keyword(s):  
Coordination Polymer ◽  
Title Compound ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
The Other ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Apical Position ◽  
One Dimensional ◽  
Dithiocarbamate Ligand

The title compound, {[Zn(C9H11N2S2)2]·0.5C6H7N} n , comprises two independent, but chemically similar, Zn[S2CN(Et)CH2py]2 residues and a 4-methylpyridine solvent molecule in the asymmetric unit. The Zn-containing units are connected into a one-dimensional coordination polymer (zigzag topology) propagating in the [010] direction, with one dithiocarbamate ligand bridging in a μ2-κ3 mode, employing one pyridyl N and both dithiocarbamate S atoms, while the other is κ2-chelating. In each case, the resultant ZnNS4 coordination geometry approximates a square pyramid, with the pyridyl N atom in the apical position. In the crystal, the chains are linked into a three-dimensional architecture by methyl- and pyridyl-C—H...S, methylene-C—H...N(pyridyl) and pyridyl-C—H...π(ZnS2C) interactions. The connection between the chain and the 4-methylpyridine solvent molecule is of the type pyridyl-C—H...N(4-methylpyridine).

scholarly journals 3,3′-Bis(chloromethyl)-4,4′-diethoxy-1,1′-biphenyl

2014 ◽  
Vol 70 (4) ◽  
pp. o387-o387
Author(s):  
Hager Trad ◽  
Mohamed Salah Belkhiria ◽  
Mustapha Majdoub
Keyword(s):  
Title Compound ◽  
Crystal Packing ◽  
The Other ◽  
Van Der Waals Interactions ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Atomic Displacements ◽  
Compound C ◽  
The Mean ◽  
Cl Atoms

The asymmetric unit of the title compound, C18H20Cl2O2, consists of a half-molecule, the other half being generated by an inversion center, located at the mid-point of the benzene–benzene bond. Except for the two Cl atoms, all other atoms of the compound are nearly coplanar, with the atomic displacements from the molecular mean plane ranging from 0.0037 (19) to 0.071 (2) Å. The two Cl atoms are intranspositions and are displaced with respect to the mean plane by 1.687 (2) and −1.693 (3) Å. The crystal packing is governed by van der Waals interactions.

Homoleptic 2,2′-bipyridine metalates(–I) of iron and cobalt, one cocrystallized with an anthracene radical anion and the other with neutral anthracene

2014 ◽  
Vol 70 (8) ◽  
pp. 828-832
Author(s):  
William W. Brennessel ◽  
John E. Ellis
Keyword(s):  
Radical Anion ◽  
Complex Cation ◽  
Solvent Molecule ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Aromatic Donor ◽  
Donor Acceptor ◽  
Anthracene Molecule ◽  
Packing Arrangement ◽  
Solvent Molecules

Homoleptic 2,2′-bipyridine (bipy) metalates of iron and cobalt have been synthesized directly from the corresponding homoleptic anthracene metalates. In the iron structure, bis[([2.2.2]cryptand)potassium(I)] tris(2,2′-bipyridine)ferrate(–I) anthracene(–I), [K(C18H36N2O6)]2[Fe(C10H8N2)3](C14H10), the asymmetric unit contains one potassium complex cation in a general position, the Fe center and one and a half bipy ligands of the ferrate complex on a crystallographic twofold axis that includes the Fe atom, and one half of an anthracene radical anion whose other half is generated by a crystallographic inversion center. The cations and anions are well separated and the geometry about the Fe center is essentially octahedral. In the cobalt structure, ([2.2.2]cryptand)potassium(I) bis(2,2′-bipyridine)cobaltate(–I) anthracene hemisolvate tetrahydrofuran (THF) disolvate, [K(C18H36N2O6)][Co(C10H8N2)2]·0.5C14H10·2C4H8O, the asymmetric unit contains the cation, anion, and both cocrystallized THF solvent molecules in general positions, and one half of a cocrystallized anthracene molecule whose other half is generated by a crystallographic inversion center. The cation and anion are well separated and the ligand planes in the cobaltate anion are periplanar. Each anthracene molecule is midway between and is oriented perpendicular to a pair of symmetry-related bipy ligands such that aromatic donor–acceptor interactions may play a role in the packing arrangement. The lengths of the bonds that connect the bipy rings support the assertion that the ligands are bipy radical anions in the iron structure. However, in the case of cobalt, these lengths are between the known ranges for a bipy radical anion and a bipy dianion, and therefore no conclusion can be made from the crystallography alone. One cocrystallized THF solvent molecule in the cobalt structure was modeled as disordered over three positions with appropriate geometric and thermal restraints, which resulted in a refined component mass ratio of 0.412 (4):0.387 (3):0.201 (3).

scholarly journals Bis(μ2-4-nitrophenolato)bis(4-nitrophenolato)di-μ3-oxido-octaphenyltetratin chloroform sesquisolvate [+ solvate]: a tetranuclear stannoxane

IUCrData ◽  
2019 ◽  
Vol 4 (8) ◽  
Author(s):  
Patrick Butler
Keyword(s):  
Hydrogen Bonds ◽  
Electron Density ◽  
Three Dimensional ◽  
The Other ◽  
Dimensional Structure ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Complex Molecules ◽  
Three Dimensional Structure

The title tetranuclear stannoxane, [Sn4(C6H5)8(C6H4NO3)4O2]·1.5CHCl3·solvent, crystallized with two independent complex molecules, A and B, in the asymmetric unit together with 1.5 molecules of chloroform. There is also a region of disordered electron density, which was corrected for using the SQUEEZE routine [Spek (2015). Acta Cryst. C71, 9–18]. The oxo-tin core of each complex is in a planar `ladder' arrangement and each Sn atom is fivefold SnO3C2 coordinated, with one tin centre having an almost perfect square-pyramidal coordination geometry, while the other three Sn centres have distorted shapes. In the crystal, the complex molecules are arranged in layers, composed of A or B complexes, lying parallel to the bc plane. The complex molecules are linked by a number of C—H...O hydrogen bonds within the layers and between the layers, forming a supramolecular three-dimensional structure.

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