scholarly journals Crystal structure of chloridobis[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(I)

2017 ◽  
Vol 73 (2) ◽  
pp. 273-277 ◽  
Author(s):  
A. K. Fazlur Rahman ◽  
Miles Wilklow-Marnell ◽  
William W. Brennessel ◽  
William D. Jones
Keyword(s):  
Title Complex ◽  
Asymmetric Unit ◽  
Large Excess ◽  
Orthorhombic Space Group ◽  
Slow Cooling ◽  
Hexagonal Packing ◽  
Trigonal Bipyramidal ◽  
Chloride Ligand ◽  
Packing Arrangement ◽  
Coordinate Geometry

The title complex, [IrCl(C8H12)2], was synthesized directly from the reaction of IrCl3·3H2O with a large excess of cod (cod = cycloocta-1,5-diene) in alcoholic solvent. Large yellow needles were obtained by the slow cooling of a hot solution. Based on the positions of the chloride ligand and the mid-points of the four C=C bonds, the molecule adopts a five-coordinate geometry that is midway between square pyramidal and trigonal bipyramidal. The material crystallizes in the orthorhombic space groupPbcawith one molecule per asymmetric unit in a general position and shows no significant intermolecular interactions. Individual molecules are aligned along [010], and these rows form a pseudo-hexagonal packing arrangement.

scholarly journals Crystal structure of dibromidotetrakis(propan-2-ol-κO)nickel(II)

2015 ◽  
Vol 71 (12) ◽  
pp. m263-m264
Author(s):  
Yaokang Lv ◽  
Mingxian Liu ◽  
Lvlv Ji ◽  
Cheng Zhang ◽  
Mi Ouyang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Hexagonal Packing

The asymmetric unit of the mononuclear title complex, [NiBr2(C3H8O)4], comprises a NiIIcation located on a centre of inversion, one Br−anion and two propan-2-ol ligands. The NiIIcation exhibits a distortedtrans-Br2O4environment. There are O—H...Br hydrogen bonds connecting neighbouring molecules into rows along [100]. These rows are arranged in a distorted hexagonal packing and are held together by van der Waals forces only.

scholarly journals [1,2-Bis(diphenylphosphanyl)ethane-κ2 P,P]chlorido(isonicotinamide-κN)palladium(II) nitrate acetonitrile monosolvate

IUCrData ◽  
2021 ◽  
Vol 6 (11) ◽  
Author(s):  
Rafael A. Adrian ◽  
Bradley J. Lagemann ◽  
Hadi D. Arman
Keyword(s):  
Hydrogen Bonds ◽  
Coordination Sphere ◽  
Crystal Packing ◽  
Central Atom ◽  
Title Complex ◽  
Pyridyl Ring ◽  
Asymmetric Unit ◽  
Nitrate Ions ◽  
Square Planar ◽  
Chloride Ligand

The PdII central atom in the title complex, [PdCl(C26H24P2)(C6H6N2O)]NO3·CH3CN or [PdCl(dppe)(INAM)]NO3·CH3CN, where dppe is 1,2-bis(diphenylphosphanyl)ethane and INAM is isonicotinamide, exists in a slightly distorted square-planar environment defined by the two P atoms of the dppe ligand, a chloride ligand and the N atom of the isonicotinamide pyridyl ring. The crystal packing in the structure is held together by hydrogen bonds between the amide of the INAM ligand and the nitrate ions that complete the outer coordination sphere. A molecule of acetonitrile is also found in the asymmetric unit of the title complex.

scholarly journals Crystal structure of μ-oxalato-κ2O1:O2-bis[(dimethyl sulfoxide-κO)triphenyltin(IV)]

2017 ◽  
Vol 73 (7) ◽  
pp. 1033-1036
Author(s):  
Serigne Fallou Pouye ◽  
Ibrahima Cisse ◽  
Libasse Diop ◽  
Alessandro Dolmella ◽  
Sylvain Bernès
Keyword(s):  
Dimethyl Sulfoxide ◽  
Reaction Medium ◽  
Dmso Molecule ◽  
Title Complex ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Disordered System ◽  
Group Type ◽  
Trigonal Bipyramidal ◽  
Phenyl Rings

In the previously reported [C2O4(SnPh3)2] complex [Diopet al.(2003).Appl. Organomet. Chem.17, 881–882.], the SnIVatoms are able to formally complete their coordination by addition of dimethyl sulfoxide (DMSO) molecules provided by the reaction medium, affording the title complex, [Sn2(C6H5)6(C2O4)(C2H6OS)2]. The SnIVatoms are then pentacoordinated, with a commontranstrigonal–bipyramidal arrangement. The asymmetric unit contains one half-molecule, which is completed by inversion symmetry in space group typeC2/c. The inversion centre is placed at the mid-point of the central bis-monodentate oxalate dianion, C2O42−, which bridges the [(SnPh3)(DMSO)] moieties. The molecule crystallizes as a disordered system, with two phenyl rings disordered by rotation about their Sn—C bonds, while the DMSO molecule is split over two positions due to a tetrahedral inversion at the S atom. All disordered parts were refined with occupancies fixed of 0.5.

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.

scholarly journals fac-Bromido/chlorido(0.50/0.50)[3-carbamoyl-1-(1,10-phenanthrolin-2-ylmethyl)pyridinium-κ2 N,N′]tricarbonylmanganese(I) 0.49-bromide 0.51-chloride methanol monosolvate

IUCrData ◽  
2018 ◽  
Vol 4 (1) ◽  
Author(s):  
Kosei Wadayama ◽  
Tsugiko Takase ◽  
Dai Oyama
Keyword(s):  
Three Dimensional ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Counter Anion ◽  
Carbonyl Ligand ◽  
Carbonyl Ligands ◽  
Octahedral Environment ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Chloride Ligand

The title complex, [MnBr0.50Cl0.50(C19H15N4O)(CO)3]Br0.49Cl0.51·CH3OH, exhibits substitutional disorder of the halogen ligand in the asymmetric unit, with almost the same occupancies for Br and Cl. The MnI atom is coordinated in a distorted octahedral environment by three carbonyl C atoms, the disordered X − ligand (X = Br or Cl) and two N atoms from the 1,10-phenanthroline ligand bearing a nicotinamide pendant moiety. The cation displays a fac configuration of the carbonyl ligands. There is another disorder between the chloride ligand and its trans-situated carbonyl ligand, and between Cl− and Br− at the position of the counter-anion. In the crystal, intermolecular C—H...X, N—H...X, O—H...X (X = Br or Cl) and C—H...O hydrogen bonds lead to the formation of a three-dimensional network.

Bis{2,2′-[ethane-1,2-diylbis(iminomethylene)]diphenolato-κ2 O,N,N′,O′}cerium(IV) chloroform solvate

2007 ◽  
Vol 63 (11) ◽  
pp. m2777-m2778 ◽  
Author(s):  
Shu-Ping Yang ◽  
Li-Jun Han ◽  
Da-Qi Wang ◽  
Bo Wang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Dimensional Network ◽  
Diamine Ligands ◽  
Coordinate Geometry

In the title compound, [Ce(C16H18N2O2)2]·CHCl3, the CeIV atom has an eight-coordinate geometry involving two tetradentate N,N′-(2-oxidobenzyl)ethane-1,2-diamine ligands. The asymmetric unit contains one molecule of the title complex and one chloroform molecule, linked by C—H...O and N—H...Cl hydrogen bonds. These neighbouring molecules are connected by two C—H...π interactions, and by N—H...Cl and C—H...Cl interactions, resulting in a three-dimensional network.

[3-Methoxy-2-oxidobenzaldehyde (2-thienylcarbonyl)hydrazonato]dimethyltin(IV)

2006 ◽  
Vol 62 (5) ◽  
pp. m1024-m1026
Author(s):  
Shao-Wen Chen ◽  
Han-Dong Yin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Trigonal Bipyramidal Geometry ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal

In the molecule of the title complex, [Sn(CH3)2(C13H10N2O3S)], the Sn atom is in a distorted trigonal–bipyramidal geometry. There are two molecules in the asymmetric unit. A centrosymmetric arrangement leads to an Sn2O2 core through weak Sn...O interactions and causes the formation of a dimer. Intermolecular C—H...O hydrogen bonds seem to be effective in the stabilization of the crystal structure.

scholarly journals Crystal structure of the thermochromic bis(diethylammonium) tetrachloridocuprate(II) complex

2016 ◽  
Vol 72 (1) ◽  
pp. 40-43 ◽  
Author(s):  
Emily P. Aldrich ◽  
Katherine A. Bussey ◽  
Jennifer R. Connell ◽  
Erin F. Reinhart ◽  
Kayode D. Oshin ◽  
...  
Keyword(s):  
Room Temperature ◽  
Complex Salt ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Orthorhombic Space Group ◽  
Coordination Environment ◽  
The Third ◽  
Square Planar ◽  
Deep Green ◽  
Hydrogen Bonded

In the structure of the title complex salt, (Et2NH2)2[CuCl4], the asymmetric unit consists of four unique diethylammonium cations and three unique tetrachloridocuprate anions. Two of the three anions are located with their copper atoms on independent crystallographic twofold axes, while the remaining tetrachloridocuprate is located at a general position of the orthorhombic space groupP21212. Two of the three Cu atoms adopt a distorted square-planar/disphenoidal geometry and the third Cu atom has a regular square-planar coordination environment. The diethylammonium cations form an extensive hydrogen-bonded network through N—H...Cl interactions with the tetrachloridocuprate anions, resulting in a two-dimensional sheet-like hydrogen-bonded network parallel to theabdirection. The complex was observed to undergo a color shift from deep green at room temperature to pale yellow at temperatures above 328 K.

scholarly journals Chlorido(4′-chloro-2,2′:6′,2′′-terpyridine-κ3 N,N′,N′′)(trifluoromethanesulfonato-κO)zinc(II) acetonitrile monosolvate

IUCrData ◽  
2020 ◽  
Vol 5 (9) ◽  
Author(s):  
Rafael A. Adrian ◽  
Hadi D. Arman
Keyword(s):  
Title Complex ◽  
Short Length ◽  
Asymmetric Unit ◽  
Pyramidal Geometry ◽  
Chloride Ligand ◽  
Square Pyramidal Geometry

In the title complex, [Zn(CF3O3S)Cl(C15H10ClN3)]·CH3CN, the zinc(II) core is fivefold coordinated by one chloride, one trifluoromethanesulfonate O atom and three terpyridine N atoms in a slightly distorted square-pyramidal geometry. The structure provides a distinct example amongst other zinc(II) 4-chloroterpyridine complexes because of the unusual planarity of the coordinated chloride, the short length of the Zn—N bond opposite to the chloride ligand [1.9572 (15) Å], and the presence of an elongated Zn—O bond [2.3911 (14) Å] in the coordinated trifluoromethanesulfonate ion. A molecule of acetonitrile is also found in the asymmetric unit of the title complex.

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).

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