Structure of Jahn–Teller distorted solvated copper(ii) ions in solution, and in solids with apparently regular octahedral coordination geometry

2002 ◽  
pp. 1256 ◽  
Author(s):  
Ingmar Persson ◽  
Per Persson ◽  
Magnus Sandström ◽  
Ann-Sofi Ullström
Keyword(s):  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Jahn Teller

scholarly journals Na9Bi5Os3O24: A  Diamagnetic Oxide Featuring a Pronouncedly Jahn‐Teller Compressed Octahedral Coordination of Osmium(VI)

2021 ◽  
Author(s):  
Martin Jansen ◽  
Gohil S. Thakur ◽  
Hans Reuter ◽  
Alexey V. Ushakov ◽  
Gianpiero Gallo ◽  
...  
Keyword(s):  
Octahedral Coordination ◽  
Jahn Teller

scholarly journals Crystal structure of bis(azido-κN)bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ2N2,N3]cobalt(II)

2015 ◽  
Vol 71 (5) ◽  
pp. 452-454 ◽  
Author(s):  
Abdelhakim Laachir ◽  
Fouad Bentiss ◽  
Salaheddine Guesmi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Title Complex ◽  
Octahedral Coordination ◽  
Maximum Deviation ◽  
Coordination Geometry ◽  
Acta Cryst ◽  
Π Interactions ◽  
The Mean

In the mononuclear title complex, [Co(N3)2(C12H8N4S)2], the cobalt(II) atom is located on an inversion centre and displays an axially weakly compressed octahedral coordination geometry. The equatorial positions are occupied by the N atoms of two 2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole ligands, whereas the axial positions are occupied by N atoms of the azide anions. The thiadiazole and pyridine rings linked to the metal are almost coplanar, with a maximum deviation from the mean plane of 0.0273 (16) Å. The cohesion of the crystal is ensured by weak C—H...N hydrogen bonds and by π–π interactions between pyridine rings [intercentroid distance = 3.6356 (11) Å], forming a layered arrangement parallel to (001). The structure of the title compound is isotypic with that of the analogous nickel(II) complex [Laachiret al.(2013).Acta Cryst.E69, m351–m352].

scholarly journals {6,6′-Dimethyl-2,2′-bis[(2-oxidobenzylidene)amino]-1,1′-biphenyl-κ4O,N,N′,O′}bis(propan-2-olato-κO)titanium(IV)n-hexane hemisolvate

IUCrData ◽  
2016 ◽  
Vol 1 (9) ◽  
Author(s):  
Liang Chen ◽  
Xuebin Deng
Keyword(s):  
Schiff Base ◽  
Schiff Base Ligand ◽  
Title Complex ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Crystal Complex ◽  
Solvent Molecules

The mononuclear TiIVtitle complex, [Ti(C28H22N2O2)(C3H7O)2]·0.5C6H14, crystallizes as ann-hexane hemisolvate. The TiIVatom is coordinated by a dianionic tetradentate biphenyl Schiff base ligand and two O atoms of two propan-2-olate anions in a distorted TiN2O4octahedral coordination geometry, in which the two N atoms are in acisconfiguration. In the crystal, complex molecules are stacked parallel to [100], leaving space for channels parallel to [001] where the solvent molecules are located.

μ-Oxido-bis{chlorido[tris(2-pyridylmethyl)amine]iron(III)} bis(hexafluoridophosphate)

2007 ◽  
Vol 63 (11) ◽  
pp. m2722-m2722 ◽  
Author(s):  
Ying Liu ◽  
Jianmin Dou ◽  
Dacheng Li ◽  
Xianxi Zhang
Keyword(s):  
Title Compound ◽  
Chloride Ion ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Amine Ligand

The dinuclear FeIII complex in the title compound, [Fe2Cl2O(C18H18N4)2](PF6)2, lies on a center of inversion. The FeIII atom is chelated by a tetradentate tris(2-pyridylmethyl)amine ligand via four N atoms and further coordinated by one chloride ion and one bridging oxide O atom, giving a distorted octahedral coordination geometry.

Dichloro(ethanol-κO){(E)-1-[1-(2-pyridyl)ethylidene]thiosemicarbazonato-κ3 N,N′,S}indium(III)

2007 ◽  
Vol 63 (3) ◽  
pp. m845-m846 ◽  
Author(s):  
Ying-Ju Fan ◽  
Le Wang ◽  
Jian-Ping Ma ◽  
Zhong-Xi Sun
Keyword(s):  
Title Complex ◽  
Enol Form ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Ethanol Molecule ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Cl Atoms

Reaction of indium(III) chloride with (E)-1-[1-(2-pyridyl)ethylidene]thiosemicarbazide afforded the title complex, [In(C8H9N4S)Cl2(C2H5OH)]. The ligand is in the enol form coordinating to the InIII atom through one S atom and two N atoms. The InIII atom is further coordinated by two Cl atoms and an ethanol molecule to complete a distorted octahedral coordination geometry.

trans-Diaquabis(N,N′-dimethylethylenediamine)nickel(II) naphthalene-2,6-disulfonate

2007 ◽  
Vol 63 (3) ◽  
pp. m734-m736 ◽  
Author(s):  
Zhao-Xun Lian ◽  
Hao-Hong Li
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Metal Center ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Two Dimensional ◽  
Inversion Center ◽  
Hydrogen Bonded

In the title compound, [Ni(C8H12N2)2(H2O)2](C10H6O6S2), the metal center, located on a crystallographic inversion center, is coordinated by four N atoms and two aqua ligands in an octahedral coordination geometry. The hexacoordinated nickel(II) complex cations are held together via N—H...O and O—H...O hydrogen bonds, resulting in infinite chains, which are connected by centrosymmetric naphthalene-2,6-disulfonate ligands as linkers, generating a two-dimensional hydrogen-bonded network.

scholarly journals Crystal structure of tetraaquabis(8-chloro-9,10-dioxo-9,10-dihydroanthracene-1-carboxylato-κO1)cobalt(II) dihydrate

2014 ◽  
Vol 70 (10) ◽  
pp. m357-m358
Author(s):  
Wen-Juan Cai ◽  
Bo Liu ◽  
Feng-Yi Liu ◽  
Jun-Feng Kou
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Title Complex ◽  
Organic Ligands ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Π Interactions ◽  
Carboxylate Anions

In the title complex, [Co(C15H6ClO4)2(H2O)4]·2H2O, the CoIIion is bound by two carboxylate O atoms of two 5-chloro-9,10-anthraquinone-1-carboxylate anions and four water O atoms in atransconformation, forming an irregular octahedral coordination geometry. This arrangement is stabilized by intramolecular O—H...O hydrogen bonds between water and carboxylate. Further O—H...O hydrogen bonds between coordinating and non-coordinating water and carboxylate produce layers of molecules that extend parallel to (001). The organic ligands project above and below the plane. Those ligands of adjacent planes are interdigitated and there are π–π interactions between them with centroid–centroid distances of 3.552 (2) and 3.767 (2) Å that generate a three-dimensional supramolecular structure.

scholarly journals trans-Bis(nitrato-κO)tetrakis(1-vinyl-1H-imidazole-κN3)copper(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1045-m1045 ◽  
Author(s):  
Fatih Şen ◽  
Ramazan Şahin ◽  
Ömer Andaç ◽  
Murat Taş
Keyword(s):  
Equatorial Plane ◽  
Title Compound ◽  
Nitrate Anion ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Π Interactions ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Jahn Teller

In the title compound, [Cu(NO3)2(C5H6N2)4], the CuIIion is located on an inversion centre. It features a Jahn–Teller-distorted octahedral coordination geometry, defined by four N atoms of four 1-vinylimidazole ligands in the equatorial plane and two nitrate O atoms in the axial positions. The nitrate anion is disordered over two sets of sites in a 0.801 (6):0.199 (6) ratio. In the crystal, the complex molecules are linked by weak intermolecular C—H...O and C—H...π interactions.

trans-Dichloro(1,4,8,11-tetraazacyclotetradecane)cobalt(III) chloride

2006 ◽  
Vol 62 (7) ◽  
pp. m1553-m1554 ◽  
Author(s):  
Radoslava Ivaniková ◽  
Ingrid Svoboda ◽  
Hartmut Fuess ◽  
Anna Mašlejová
Keyword(s):  
Equatorial Plane ◽  
Title Compound ◽  
Octahedral Coordination ◽  
Site Symmetry ◽  
Coordination Geometry ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

In the structure of the title compound, [CoCl2(C10H24N4)]Cl, the CoIII atom has a six-coordinate arrangement displaying distorted octahedral coordination geometry with the four N atoms from the 1,4,8,11-tetraazacyclotetradecane ring in the equatorial plane and two chloride anions in axial positions. The Co atom is located on a centre of inversion; the two Cl ions not bonded to Co are located on special positions of site symmetry \overline{4}.

scholarly journals Synthesis, crystal structure and biological activity of copper(II) complex with 4-nitro-3-pyrazolecarboxylic ligand

2020 ◽  
Vol 85 (7) ◽  
pp. 885-895
Author(s):  
Milica Kosovic ◽  
Sladjana Novakovic ◽  
Zeljko Jacimovic ◽  
Nedeljko Latinovic ◽  
Nada Markovic ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Biological Activity ◽  
Octahedral Coordination ◽  
Biological Research ◽  
Coordination Geometry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structural Database ◽  
Commercial Fungicide

The reaction of 4-nitro-3-pyrazolecarboxylic acid and Cu(OAc)2?H2O in ethanol resulted in a new coordination compound [Cu2(4-nitro-3- -pzc)2(H2O)6]2H2O (4nitro-3pzc = 4-nitro-3-pyrazolecarboxylate). The compound was investigated by means of single-crystal X-ray diffraction and infrared spectroscopy. The biological activity of the complex was also tested. In the crystal structure of [Cu2(4nitro-3-pzc)2(H2O)6]2H2O, the Cu(II) ion is in a distorted [4+2] octahedral coordination due to the Jan?Teller effect. A survey of the Cambridge Structural Database showed that the octahedral coordination geometry is generally rare for pyrazole-bridged Cu(II) complexes. In the case of Cu(II) complexes with the 3-pyrazolecarboxylato ligands, no complexes with a similar octahedral coordination geometry have been reported. Biological research based on determination of the inhibition effect of the commercial fungicide Cabrio top and the newly synthesized complex on Ph. viticola were performed using the phytosanitary method.

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