scholarly journals Crystal structures of (μ2-η2,η2-4-hydroxybut-2-yn-1-yl 2-bromo-2-methylpropanoate-κ4C2,C3:C2,C3)bis[tricarbonylcobalt(II)](Co—Co) and [μ2-η2,η2-but-2-yne-1,4-diyl bis(2-bromo-2-methylpropanoate)-κ4C2,C3:C2,C3]bis[tricarbonylcobalt(II)](Co—Co)

2014 ◽  
Vol 70 (7) ◽  
pp. 9-13
Author(s):  
C. John McAdam ◽  
Stephen C. Moratti ◽  
Brian H. Robinson ◽  
Jim Simpson ◽  
Roderick G. Stanley
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Coordination Geometry ◽  
Carbonyl Ligands ◽  
Axis Direction ◽  
Distorted Octahedral Coordination ◽  
Dicobalt Octacarbonyl ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Cluster Cores

The title compounds, [Co2(C8H11BrO3)(CO)6], (1), and [Co2(C12H16Br2O4)(CO)6], (2), result from the replacement of two carbonyl ligands from dicobalt octacarbonyl by the alkynes 4-hydroxybut-2-ynyl 2-bromo-2-methylpropanoate and but-2-yne-1,4-diyl bis(2-bromo-2-methylpropanoate), respectively. Both molecules have classic tetrahedral C2Co2cluster cores with the CoIIatoms in a highly distorted octahedral coordination geometry. The alkyne ligands both adopt acis-bent conformation on coordination. In the crystal structure of (1), classical O—H...O and non-classical C—H...O contacts form inversion dimers. These combine with weak O...O and Br...O contacts to stack the molecules into interconnected columns along theb-axis direction. C—H...O and C—H...Br contacts stabilize the packing for (2), and a weak Br...O contact is also observed. Interconnected columns of molecules again form along theb-axis direction.

scholarly journals Crystal structure of poly[μ-acetato-bis[μ-2-oxo-2-(quinolin-8-yl)ethanoato]trisodium]

2014 ◽  
Vol 70 (11) ◽  
pp. m385-m386
Author(s):  
Rachel L. Nicholls ◽  
Christopher M. Pask ◽  
Bao Nguyen
Keyword(s):  
Crystal Structure ◽  
Diethyl Ether ◽  
Title Compound ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Axis Direction ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Through Diffusion

The title compound [Na3(C11H6NO3)2(C2H3O2)]n, crystallized through diffusion of diethyl ether into methanol as needles. There are three crystallographically independent Na+cations present, each exhibiting a distorted octahedral coordination geometry, two through coordination by five O atoms and one N atom, and one through coordination by six O atoms. A series of intermolecular O...Na and N...Na contacts leads to the formation of chains along thea-axis direction.

scholarly journals catena-Poly[[(2,2′-bipyridine-κ2 N,N′)manganese(II)]-di-μ-bromido]

IUCrData ◽  
2021 ◽  
Vol 6 (1) ◽  
Author(s):  
Kwang Ha
Keyword(s):  
Title Complex ◽  
Coordination Geometry ◽  
One Dimensional ◽  
Axis Direction ◽  
Π Interactions ◽  
Twofold Axis ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Axis Of Symmetry

In the polymeric title complex, [MnBr2(C10H8N2)] n , the MnII ion, situated on a twofold axis of symmetry, is six-coordinated in a distorted octahedral coordination geometry defined by two N atoms from the chelating 2,2′-bipyridine ligand and four bridging Br− anions. The crystal reveals a one-dimensional Br-bridged chain along the c-axis direction with a zigzag topology. In the crystals, contacts between chains include π–π interactions between pyridyl rings [inter-centroid separation = 4.082 (1) Å]

scholarly journals [2,6-Difluoro-3-(pyridin-2-yl-κN)pyridin-4-yl-κC4](pentane-2,4-dionato-κ2O,O′)iridium(III)

2013 ◽  
Vol 69 (11) ◽  
pp. m590-m590
Author(s):  
Kaijun Luo ◽  
Chenyang Zhang ◽  
Juan Jia ◽  
Daibing Luo
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
Distorted Octahedral Coordination ◽  
Hydrogen Bond Interactions ◽  
Centroid Distance ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

The title compound, [Ir(C10H5F2N2)2(C5H7O2)], has a distorted octahedral coordination geometry around the IrIIIatom, retaining thecis-C,C/trans-N,Nchelate disposition in two 2,6-difluoro-3-(pyridin-2-yl-κN)pyridin-4-yl ligands which are nearly mutually perpendicular [dihedral angle = 82.75 (15)°]. The molecular structure is stabilized by weak C—H...O and C—H...F hydrogen-bond interactions. The crystal structure is stabilized by π–π stacking interactions (centroid–centroid distance = 3.951 Å).

scholarly journals Crystal structure of bis{μ2-3-(pyridin-2-yl)-5-[(1,2,4-triazol-1-yl)methyl]-1,2,4-triazolato}bis[aquanitratocopper(II)] dihydrate

2016 ◽  
Vol 72 (4) ◽  
pp. 486-488
Author(s):  
Roman Doroschuk
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Title Complex ◽  
Coordination Geometry ◽  
Π Interactions ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

The structure of the dinuclear title complex, [Cu2(C10H8N7)2(NO3)2(H2O)2]·2H2O, consists of centrosymmetric dimeric units with a copper–copper separation of 4.0408 (3) Å. The CuIIions in the dimer display a distorted octahedral coordination geometry and are bridged by two triazole rings, forming an approximately planar Cu2N4core (r.m.s. deviation = 0.049 Å). In the crystal, O—H...O, O—H...N and C—H...O hydrogen bonds and π–π interactions link the molecules into a three-dimensional network.

scholarly journals Crystal structure of {2,2′-[N,N′-bis(pyridin-2-ylmethyl)cyclohexane-trans-1,2-diyldi(nitrilo)]diacetato}cobalt(III) hexafluoridophosphate

2015 ◽  
Vol 71 (4) ◽  
pp. 380-384 ◽  
Author(s):  
Craig C. McLauchlan ◽  
Daniel S. Kissel ◽  
Albert W. Herlinger
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Acetonitrile Solution ◽  
Coordination Geometry ◽  
Donor Atom ◽  
Slow Evaporation ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Monodentate Coordination

The title compound [Co(C22H26N4O4)]PF6, commonly known as [Co(bpcd)]PF6, where bpcd2−is derived from the historical ligand nameN,N′-bis(2-pyridylmethyl)-trans-1,2-diaminocyclohexane-N,N′-diacetate, crystallized by slow evaporation of a saturated acetonitrile solution in air. The cation of the hexafluoridophosphate salt has the CoIIIatom in a distorted octahedral coordination geometry provided by an N4O2donor atom set. The acetate groups, which are oriented trans with respect to each other, exhibit monodentate coordination whereas the pyridyl N atoms are coordinating in a cis configuration. The geometry of the cation is compared to the geometries of other diamino diacetate complexes with CoIII.

scholarly journals Crystal structure of poly[{μ-N,N′-bis[(pyridin-4-yl)methyl]oxalamide}-μ-oxalato-cobalt(II)]

2014 ◽  
Vol 70 (9) ◽  
pp. m307-m308
Author(s):  
Hengye Zou ◽  
Yanjuan Qi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Coordination Geometry ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
A Chain

In the polymeric title compound, [Co(C2O4)(C14H14N4O2)]n, the CoIIatom is six-coordinated by two N atoms from symmetry-related bis[(pyridin-4-yl)methyl]oxalamide (BPMO) ligands and four O atoms from two centrosymmetric oxalate anions in a distorted octahedral coordination geometry. The CoIIatoms are linked by the oxalate anions into a chain running parallel to [100]. The chains are linked by the BPMO ligands into a three-dimensional architecture. In addition, N—H...O hydrogen bonds stabilize the crystal packing.

scholarly journals Crystal structure of the coordination polymer catena-poly[[bis[hydroxy(phenyl)acetato-κ2 O 1,O 2]zinc(II)]-μ2-1,2-bis(pyridin-4-yl)ethane-κ2 N:N′]

2020 ◽  
Vol 76 (12) ◽  
pp. 1868-1870
Author(s):  
Shen Fwu Ming ◽  
Lush Shie Fu
Keyword(s):  
Crystal Structure ◽  
Phenyl Ring ◽  
Phenyl Acetate ◽  
Polymeric Chain ◽  
Coordination Geometry ◽  
Π Interactions ◽  
Distorted Octahedral Coordination ◽  
Centroid Distance ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

In the title polymeric ZnII compound, [Zn(C8H7O3)2(C12H12N2)] n , the Zn cation is coordinated by two N atoms from 1,2-bis(pyridin-4-yl)ethane unit and four O atoms from two mandelate [or hydroxy(phenyl)acetate] anions in a slightly distorted octahedral coordination geometry. The 1,2-bis(pyridin-4-yl)ethane unit bridges two ZnII cations, related by an inversion centre, to form a polymeric chain along [110]. The crystal structure features extensive O—H...O and weak C—H ...O hydrogen bonds, with C—H ... π interactions and π–π interactions also being present. The centroid–centroid distance between the phenyl ring of the mandelate group and the 1,2-bis(pyridine-4-yl)ethane moiety is 4.951 (2) Å. The 1,2-bis(pyridin-4-yl)ethane ligand is disordered over two positions, with a refined occupancy of 0.578 (14) for the major component.

scholarly journals Crystal structure of hexakis(μ2-4-tert-butoxy-4-oxobut-2-en-2-olato)trizinc

2014 ◽  
Vol 70 (12) ◽  
pp. 483-485
Author(s):  
Olgerd O. Shtokvish ◽  
Lyudmila I. Koval ◽  
Vasyl I. Pekhnyo
Keyword(s):  
Crystal Structure ◽  
Metal Cations ◽  
Title Complex ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Linear Fashion ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

The title complex, systematic name hexakis(μ2-4-tert-butoxy-4-oxobut-2-en-2-olato)-1:2κ9O2,O4:O2;2:3κ9O2,O4:O2-trizinc, [Zn3(C8H13O3)6], synthesized fromtert-butyl acetoacetate and diethylzinc, consists of trinuclear centrosymmetric molecules of an approximateC3isymmetry. The three metal cations are arranged in a linear fashion, with the central ZnIIatom located on a centre of symmetry. All three metal cations exhibit a distorted octahedral coordination geometry. The terminal ZnIIcations are chelated by threetert-butyl acetoacetate ligands and these units are connected to the central ZnIIatom by the bridging enolate O atoms.

1,10-Phenanthrolinium tetraiodo(1,10-phenanthroline-κ2 N,N′)bismuthate(III) 1,10-phenanthroline

2006 ◽  
Vol 62 (5) ◽  
pp. m1170-m1172 ◽  
Author(s):  
Feng Li ◽  
Han-Dong Yin ◽  
Jun Zhai ◽  
Da-Qi Wang
Keyword(s):  
Crystal Structure ◽  
Complex Cation ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Iodide Ions ◽  
Distorted Octahedral Coordination ◽  
Compound C ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Phenanthroline Ligand

The asymmetric unit of the title compound, (C12H9N2)[BiI4(C12H8N2)]·C12H8N2, comprises a 1,10-phenanthrolinium cation and a tetraiodo(1,10-phenanthroline)bismuthate(III) anion, together with a neutral 1,10-phenanthroline molecule. The BiIII ion adopts a distorted octahedral coordination geometry, binding to the two N atoms of a chelating 1,10-phenanthroline ligand and four iodide ions. N—H...N and C—H...I hydrogen bonding between the 1,10-phenanthroline molecule, the 1,10-phenanthrolinium cation and the BiIII complex cation stabilize the crystal structure.

scholarly journals Crystal Structure of [Bis(L-Alaninato)Diaqua]Nickel(II) Dihydrate

2009 ◽  
Vol 2009 ◽  
pp. 1-5 ◽  
Author(s):  
Awni Khatib ◽  
Fathi Aqra ◽  
David Deamer ◽  
Allen Oliver
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Potassium Hydroxide ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Gauche Conformation ◽  
X Ray ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

The title complex, [Ni, has been prepared from nickel(II) chloride in aqueous solution by adding L-alanine and potassium hydroxide. It has been crystallized from aqueous solution, and its structure was determined by X-ray structure analysis. The nickel(II) ion adopts distorted octahedral coordination geometry with two bidentate L-alanine molecules and two water molecules. The complex is neutral and dihydrated. The crystal structure shows the hydrogen bonding between water and amide hydrogens within the lattice, and each fragment of the complex contains two water molecules as hydrated water. The L-alaninato ligand skeleton of the compound adopts the most stable trans-III configuration in the solid state. The alternating two five-membered chelate rings are in the stable gauche conformation.

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