scholarly journals Chloridobis(1,10-phenanthroline-κ2N,N′)copper(II) chlorido(1,10-phenanthroline-κ2N,N′)(pyridine-2,6-dicarboxylato-κ3O2,N,O6)manganate(II) methanol monosolvate

2014 ◽  
Vol 70 (4) ◽  
pp. m147-m148 ◽  
Author(s):  
Halyna I. Buvailo ◽  
Julia A. Rusanova ◽  
Valeriya G. Makhankova ◽  
Vladimir N. Kokozay ◽  
Roman I. Zubatyuk
Keyword(s):  
Solvent Molecule ◽  
Chloride Ion ◽  
Coordination Geometry ◽  
Π Interactions ◽  
Trigonal Bipyramidal ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Cl Atom ◽  
Phenanthroline Ligands ◽  
Distorted Trigonal Bipyramidal

The title complex, [CuCl(C12H8N2)2][Mn(C7H3NO4)Cl(C12H8N2)]·CH3OH, consists of discrete [CuCl(phen)2]+cations (phen is 1,10-phenanthroline), [MnCl(pydc)(phen)]−anions (H2pydc is 2,6-pyridine-2,6-dicarboxylic acid) and one methanol solvent molecule of crystallization per asymmetric unit. It should be noted, that a solvent-masking procedure as implemented inOLEX2[Dolomanovet al.(2009).J. Appl. Cryst.42, 339–341] was used to remove the electronic contribution from one disordered solvent molecule, presumably methanol. Only the atoms used in the refined model are reported in chemical formula and related values. The CuIIion is five-coordinated by two phenanthroline ligands and one chloride ion in a distorted trigonal–bipyramidal geometry. The dihedral angle between the phen ligands is 65.21 (5)°. The MnIIion is six-coordinated by one Cl atom, two N atoms from a phen ligand, as well one N atom and two O atoms from pydc in a distorted octahedral coordination geometry, withcisangles ranging from 72.00 (8) to 122.07 (8)° andtransangles ranging from 143.98 (8) to 163.15 (6)°. In the crystal, C—H...O, O—H...O and C—H...Cl hydrogen bonds, cation–anion π–π interactions between the phen ring systems with centroid–centroid distances in the range 3.881 (34)–4.123 (36) Å, as well as cation–cation, anion–anion π–π interactions between the phen rings with centroid–centroid distances in the range 3.763 (4)–3.99 (5) Å and pydc rings with centroid–centroid distances 3.52 (5) Å link the various components.

Chloridobis(1,10-phenanthroline-κ2 N,N′)copper(I) hexahydrate

2007 ◽  
Vol 63 (3) ◽  
pp. m826-m828 ◽  
Author(s):  
H. Zhong ◽  
X.-R. Zeng ◽  
X.-M. Yang ◽  
Q.-Y. Luo ◽  
S.-Z. Xiao
Keyword(s):  
Three Dimensional ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
Rotation Axes ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Cl Atom ◽  
Phenanthroline Ligands ◽  
Distorted Trigonal Bipyramidal

The CuI atom in the title complex, [CuCl(C12H8N2)2]·6H2O, exists in a distorted trigonal-bipyramidal coordination geometry defined by one Cl atom and four N atoms of two 1,10-phenanthroline ligands. In the crystal structure, molecules are linked into a three-dimensional framework by O—H...O hydrogen bonds and π–π stacking interactions. Four water molecules lie on crystallographic twofold rotation axes.

Hydrogen bonding and π–π interactions in the cocrystal salt [Fe(bpe)2(H2O)4](TCEP)2·2(bpe) [bpe is trans-1,2-bis(pyridin-4-yl)ethene and TCEP is 1,1,3,3-tetracyano-2-ethoxypropenide]

2019 ◽  
Vol 75 (3) ◽  
pp. 348-353
Author(s):  
Abderrezak Addala ◽  
David K. Geiger ◽  
Zouaoui Setifi ◽  
Fatima Setifi
Keyword(s):  
Hydrogen Bonding ◽  
Density Functional ◽  
Complex Cation ◽  
Electron Delocalization ◽  
Coordination Geometry ◽  
Inversion Center ◽  
Functional Theory ◽  
Π Interactions ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

The cocrystal salt tetraaquabis[trans-1,2-bis(pyridin-4-yl)ethene-κN]iron(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide)–trans-1,2-bis(pyridin-4-yl)ethene (1/2), [Fe(C12H10N2)2(H2O)4](C9H5N4O)2·2C12H10N2, is a rare example of a mononuclear FeII compound with trans-1,2-bis(pyridin-4-yl)ethane (bpe) ligands. The complex cation resides on a crystallographically imposed inversion center and exhibits a tetragonally distorted octahedral coordination geometry. Both the symmetry-independent bpe ligand and the cocrystallized bpe molecule are essentially planar. The 1,1,3,3-tetracyano-2-ethoxypropenide counter-ion is nonplanar and the bond lengths are consistant with significant electron delocalization. The extended structure exhibits an extensive O—H...N hydrogen-bonding network with layers of complex cations joined by the cocrystallized bpe. Both the coordinated and the cocrystallized bpe are involved in π–π interactions. Hirshfeld and fingerprint plots reveal the important intermolecular interactions. Density functional theory was used to estimate the strengths of the hydrogen-bonding and π–π interactions, and suggest that the O—H...N hydrogen bonds enhance the strength of the π-interactions by increasing the polarization of the pyridine rings.

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.

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.

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 Tetracarbonyl[N-(diphenylphosphanyl-κP)-N,N′-diisopropyl-P-phenylphosphorus diamide-κP]molybdenum(0) with an unknown solvent

IUCrData ◽  
2018 ◽  
Vol 3 (6) ◽  
Author(s):  
Martha Höhne ◽  
Marc Gongoll ◽  
Anke Spannenberg ◽  
Bernd H. Müller ◽  
Normen Peulecke ◽  
...  
Keyword(s):  
Solvent Molecule ◽  
Coordination Geometry ◽  
Crystal Data ◽  
Chemical Formula ◽  
Acta Cryst ◽  
Carbonyl Ligands ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Solvent Molecules ◽  
The Given

The title complex, [Mo(C24H30N2P2)(CO)4], contains a molybdenum centre bearing a P,P′-cis-chelating Ph2PN( i Pr)P(Ph)NH( i Pr) and four carbonyl ligands in a distorted octahedral coordination geometry. This results in a nearly planar four-membered metallacycle. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds to form layers parallel to the ac plane. For the final refinement, the contributions of disordered solvent molecules were removed from the diffraction data with SQUEEZE in PLATON [Spek (2015). Acta Cryst. C71, 9–18]. The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s).

scholarly journals Bis(2,9-dimethyl-1,10-phenanthroline)copper(I) pentacyanidonitrosoferrate(II)

2013 ◽  
Vol 69 (12) ◽  
pp. m684-m685 ◽  
Author(s):  
Julia A. Rusanova ◽  
Olesia V. Kozachuk ◽  
Valentyna V. Semenaka ◽  
Viktoriya V. Dyakonenko
Keyword(s):  
Stacking Interactions ◽  
Coordination Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
Distorted Octahedral Coordination ◽  
Distorted Tetrahedral Geometry ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Phenanthroline Ligands

The asymmetric unit of the title complex [Cu(C14H12N2)2]2[Fe(CN)5(NO)], consists of a [Cu(dmp)2]+cation (dmp is 2,9-dimethyl-1,10-phenanthroline) and half an [Fe(CN)5(NO)]2−anion. The anion is disordered across an inversion center with the FeIIion slightly offset (ca0.205Å) from the inversion center in the direction of the disorderedtrans-coordinating CN/NO ligands. The anion has a distorted octahedral coordination geometry. The CuIion is coordinated by two phenanthroline ligands in a distorted tetrahedral geometry. The dihedral angle between the phenanthroline ligands is 77.16 (4) Å. In the crystal, the cations are connected to the anions by weak C—H...N hydrogen bonds. In addition, weak π–π stacking interactions are observed, with centroid–centroid distances in the range 3.512 (3)–3.859 (3) 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.

μ-Oxalato-κ4 O,O′:O′′,O′′′-bis[chloro(1,10-phenanthroline-κ2 N,N′)copper(II)]

2007 ◽  
Vol 63 (3) ◽  
pp. m710-m711 ◽  
Author(s):  
Min Wang ◽  
Bo Hu ◽  
Xiao-Tao Deng ◽  
Cheng-Gang Wang
Keyword(s):  
Stacking Interactions ◽  
Coordination Geometry ◽  
Phen Ligand ◽  
Inversion Center ◽  
Dimeric Complex ◽  
Trigonal Bipyramidal ◽  
Oxalate Ligand ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Cl Atom ◽  
Distorted Trigonal Bipyramidal

In the title dimeric complex, [Cu2(C2O4)Cl2(C12H8N2)2], which lies on a crystallographic inversion center, the CuII ion is in a distorted trigonal–bipyramidal coordination geometry formed by two N atoms from a phen ligand, two O atoms from a bridging oxalate ligand and one Cl atom. In the crystal structure, pairs of molecules related by π–π stacking interactions are stacked along the c-axis direction

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.

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