Die Kristallstruktur von PPh4[MoOCl4(OCHNMe2)] / The Crystal Structure of PPh4[MoOCl4(OCHNMe2)]

1986 ◽  
Vol 41 (4) ◽  
pp. 523-526 ◽  
Author(s):  
Dieter Fenske ◽  
Kay Jansen ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Carbon Tetrachloride ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Dimethyl Formamide ◽  
Structural Investigations ◽  
X Ray ◽  
Distorted Octahedral ◽  
Cell Dimensions ◽  
Ray Methods

Green crystals of the title compound are formed in the reaction of (PPh4)2 [Mo2(O2C -Ph)4Cl2] ·2 CH2Cl2 with dimethyl formamide/carbon tetrachloride in the presence of water. According to the structural investigations by X-ray methods PPh4[MoCl4(O CHNMe2)] crystallizes orthorhombically in the space group C2221 with four formula units per unit cell (3132 observed, independent reflexions, R - 0.068). The cell dimensions are a = 792.1 pm, b = 1656.8 pm, c = 2211.3 pm. The structure consists of PPh4⊕ cations and anions [MoOCl4(OCHNMe2)]⊖, in which the coordination sphere of the molybdenum atom is of distorted octahedral geometry. The ligands are four equatorial chlorine atoms, one terminal O atom (Mo = O 165 pm) and the O atom of the dimethyl formamide molecule (MoO 232 pm). The IR spectrum is reported

Synthesis and Structure of cis-Dioxobis(pyrimidine-2-thiolato-N,S)molybdenum(VI)

1992 ◽  
Vol 45 (11) ◽  
pp. 1933 ◽  
Author(s):  
PR Traill ◽  
AG Wedd ◽  
ERT Tiekink
Keyword(s):  
Least Squares ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Monoclinic Space Group ◽  
Full Matrix ◽  
X Ray ◽  
Distorted Octahedral ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

The characterization of two MoVI complexes, cis -[MoO2(2-pymS)2] and cis -[MoO2(2-pyS)2] (where 2-pymSH is pyrimidine-2-thiol and 2-pySH is pyridine-2-thiol), and their reaction with Ph3P are reported. The X-ray structure of cis -[MoO2(2-pymS)2] shows the molybdenum atom to exist in a distorted octahedral geometry defined by two mutually cis oxygen atoms and two chelating 2-pymS ligands so that the two sulfur atoms occupy approximate trans positions. Crystals of cis -[MoO2(2-pymS)2] are monoclinic, space group P 21/n, with unit cell dimensions: a 9.301(3), b 12.121(2), c 11.303(3) �, β 112.62(3)�, V 1176.3 �3, Z 4. The structure was refined by a full-matrix least-squares procedure to R 0.067 for 1858 reflections with I ≥ 2.5 (I).

Synthesis and structural characterization of Mn(II) and Cu(II) complexes with bis(4-(1H-imidazol-1-yl)phenyl)methanone ligands

2017 ◽  
Vol 72 (1) ◽  
pp. 83-87 ◽  
Author(s):  
Gao-Feng Wang ◽  
Xiao Zhang ◽  
Zhao-Rong Liu ◽  
Yu-Chun Wang ◽  
Hong-Shi Jiang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Octahedral Geometry ◽  
Helical Chain ◽  
Distorted Octahedral Geometry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bridging Ligand ◽  
Distorted Octahedral ◽  
Elemental Analyses

AbstractTwo complexes, {Mn(hfac)2(BIPMO)}n (1), {Cu(hfac)2(BIPMO)}n (2) [hfac=1,1,1,5,5,5-hexafluoro-pentane-2,4-dionato(–), BIPMO=bis(4-(1H-imidazol-1-yl)phenyl)methanone], with the V-shaped ligands were synthesized and characterized by infrared spectroscopy, elemental analyses, along with single-crystal X-ray diffraction analyses. The X-ray diffraction studies have shown that the metal ions in 1 and 2 are both six-coordinated to two nitrogen atoms of two BIPMO ligands and four oxygen atoms of two hfac ligands to form a distorted octahedral geometry. Each BIPMO ligand acts as a bridging ligand to link two adjacent metal(II) atoms to form a helical chain in the crystal structure.

Structural and spectral study of coordination of 4,4′-dimethoxy-2,2′-bipyridine toward Zn(II) and Cd(II) containing thiocyanato or azido ligands

2016 ◽  
Vol 71 (9) ◽  
pp. 959-965 ◽  
Author(s):  
Farzin Marandi ◽  
Keyvan Moeini ◽  
Hadi Amiri Rudbari
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
X Ray ◽  
X Ray Crystallography ◽  
Distorted Octahedral ◽  
Ft Ir ◽  
New Compounds ◽  
C Nmr

AbstractThree new compounds of zinc(II) and cadmium(II) with the ligand 4,4′-dimethoxy-2,2′-bipyridine (4,4′-dmo-2,2′-bpy), including cis-[Zn(4,4′-dmo-2,2′-bpy)2(SCN)2] (1), cis-[Cd(4,4′-dmo-2,2′-bpy)2(SCN)2] (2), and [Cd3(4,4′-dmo-2,2′-bpy)3(N3)5(OAc)]n (3), have been obtained as white single crystals by the branched tube method and characterized by elemental analysis, FT-IR and 1H, 13C NMR spectroscopy, and X-ray crystallography. Single-crystal structure analyses of the isostructural complexes 1 and 2 showed distorted octahedral geometry for zinc(II) and cadmium(II) with ZnN6 and CdN6 environments. Complex 3 reveals a rare coordination polymer containing octahedrally coordinated cadmium(II) expanding to chains by two different bridging modes, including Cd‒O‒C‒O‒Cd and Cd‒N‒Cd.

scholarly journals Crystal structure of trans-dichlorido(1,4,8,11-tetraazacyclotetradecane-κ4 N)chromium(III) bis(formamide-κO)(1,4,8,11-tetraazacyclotetradecane-κ4 N)chromium(III) bis[tetrachloridozincate(II)]

2020 ◽  
Vol 76 (5) ◽  
pp. 656-659
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Complex Cation ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
X Ray ◽  
Distorted Octahedral ◽  
Cl Atoms

The structure of the title compound, [CrCl2(C10H24N4)][Cr(HCONH2)2(C10H24N4)][ZnCl4]2 (C10H24N4 = 1,4,8,11-tetraazacyclotetradecane, cyclam; HCONH2 = formamide, fa), has been determined from synchrotron X-ray data. The asymmetric unit contains two independent halves of the [CrCl2(cyclam)]+ and [Cr(fa)(cyclam)]3+ cations, and one tetrachloridozincate anion. In each complex cation, the CrIII ion is coordinated by the four N atoms of the cyclam ligand in the equatorial plane and two Cl ligands or two O-bonded formamide molecules in a trans axial arrangement, displaying a distorted octahedral geometry with crystallographic inversion symmetry. The Cr—N(cyclam) bond lengths are in the range 2.061 (2) to 2.074 (2) Å, while the Cr—Cl and Cr—O(fa) bond distances are 2.3194 (7) and 1.9953 (19) Å, respectively. The macrocyclic cyclam moieties adopt the centrosymmetric trans-III conformation with six- and five-membered chelate rings in chair and gauche conformations. The crystal structure is stabilized by intermolecular hydrogen bonds involving the NH or CH groups of cyclam and the NH2 group of coordinated formamide as donors, and Cl atoms of the ZnCl4 2− anion as acceptors.

scholarly journals Crystal structure of silver [(propane-1,3-diyldinitrilo-κ2N,N′)tetraacetato-κ4O,O′,O′′,O′′′]chromate(III) from synchrotron X-ray data

2018 ◽  
Vol 74 (3) ◽  
pp. 278-281
Author(s):  
Dohyun Moon ◽  
Keon Sang Ryoo ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Intermolecular Hydrogen Bonding ◽  
Asymmetric Unit ◽  
X Ray ◽  
Distorted Octahedral ◽  
The Mean ◽  
Twist Boat

The asymmetric unit of the title compound, Ag[Cr(C11H14N2O8)]·3H2O, contains one [Cr(1,3-pdta)]−anion [1,3-pdta is (propane-1,3-diyldinitrilo)tetraacetate], one Ag+cation and three water molecules. The Cr3+ion is coordinated to the four O and two N atoms of the 1,3-pdta ligand, displaying a distorted octahedral geometry. The mean Cr—N and Cr—O bond lengths are 2.0727 (17) and 1.9608 (15) Å, respectively. The conformations of the chelate rings were found to be envelope for the glycinates and twist-boat for the six-membered diamine (T) ring. The Ag+cation is surrounded by six O atoms from three non-coordinated carbonyl O atoms of neighbouring 1,3-pdta groups and three water molecules. The crystal structure is stabilized by intermolecular hydrogen bonding involving the water O—H group as donor and the carboxyl O atom as acceptor.

Synthesis, Characterisation and Structural Studies of [Zn(phen)3][Fe(CN)5(NO)]·2H2O·0.25MeOH and [(bipy)2(H2O)Zn(μ-NC)Fe(CN)4(NO)]·0.5H2O

2003 ◽  
Vol 58 (9) ◽  
pp. 916-921 ◽  
Author(s):  
Amitabha Datta ◽  
Samiran Mitra ◽  
Georgina Rosair
Keyword(s):  
Infrared Spectroscopy ◽  
Thermogravimetric Analysis ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Structural Studies ◽  
Crystal Lattices ◽  
X Ray ◽  
X Ray Crystallography ◽  
Distorted Octahedral ◽  
Solvent Molecules

Two new bimetallic complexes [Zn(phen)3][Fe(CN)5(NO)] · 2 H2O · 0.25 MeOH, (1) and [(bipy)2(H2O)Zn(μ-NC)Fe(CN)4(NO)] · 0.5 H2O, (2), have been isolated (where phen = 1,10-phenanthroline and bipy = bipyridyl) and characterised by X-ray crystallography [as the 2 H2O · 0.25 CH3OH solvate for (1) and hemihydrate for (2)] infrared spectroscopy and thermogravimetric analysis. Substitution of phenanthroline for bipyridyl resulted in a cyano-bridged bimetallic species rather than two discrete mononuclear metal complexes. The bond angles of Fe-N-O were shown to be practically linear for both 1 [179.2(7)°] and 2 [178.3(3)°], and the Zn atoms have distorted octahedral geometry. The solvent molecules in both crystal lattices take part in forming hydrogen-bonded networks.

scholarly journals Crystal structure of a mononuclear RuIIcomplex with a back-to-back terpyridine ligand: [RuCl(bpy)(tpy–tpy)]+

2015 ◽  
Vol 71 (9) ◽  
pp. 1017-1021 ◽  
Author(s):  
Francisca N. Rein ◽  
Weizhong Chen ◽  
Brian L. Scott ◽  
Reginaldo C. Rocha
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Bidentate Ligand ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Stacking Interactions ◽  
Bite Angle ◽  
Distorted Octahedral ◽  
The Mean

We report the structural characterization of [6′,6′′-bis(pyridin-2-yl)-2,2′:4′,4′′:2′′,2′′′-quaterpyridine](2,2′-bipyridine)chloridoruthenium(II) hexafluoridophosphate, [RuCl(C10H8N2)(C30H20N6)]PF6, which contains the bidentate ligand 2,2′-bipyridine (bpy) and the tridendate ligand 6′,6′′-bis(pyridin-2-yl)-2,2′:4′,4′′:2′′,2′′′-quaterpyridine (tpy–tpy). The [RuCl(bpy)(tpy–tpy)]+monocation has a distorted octahedral geometry at the central RuIIion due to the restricted bite angle [159.32 (16)°] of the tridendate ligand. The Ru-bound tpy and bpy moieties are nearly planar and essentially perpendicular to each other with a dihedral angle of 89.78 (11)° between the least-squares planes. The lengths of the two Ru—N bonds for bpy are 2.028 (4) and 2.075 (4) Å, with the shorter bond being opposite to Ru—Cl. For tpy–tpy, the mean Ru—N distance involving the outer N atomstransto each other is 2.053 (8) Å, whereas the length of the much shorter bond involving the central N atom is 1.936 (4) Å. The Ru—Cl distance is 2.3982 (16) Å. The free uncoordinated moiety of tpy–tpy adopts atrans,transconformation about the interannular C—C bonds, with adjacent pyridyl rings being only approximately coplanar. The crystal packing shows significant π–π stacking interactions based on tpy–tpy. The crystal structure reported here is the first for a tpy–tpy complex of ruthenium.

scholarly journals Crystal structure of (2-formylphenolato-κ2O,O′)oxido(2-{[(2-oxidoethyl)imino]methyl}phenolato-κ3O,N,O′)vanadium(V)

2015 ◽  
Vol 71 (5) ◽  
pp. m104-m105
Author(s):  
Sowmianarayanan Parimala ◽  
Parasuraman Selvam
Keyword(s):  
Crystal Structure ◽  
Metal Atom ◽  
Basal Plane ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Interplanar Angle ◽  
Vanadyl Complex ◽  
Distorted Octahedral ◽  
Benzene Rings ◽  
Axial Bond

In the unsymmetrical title vanadyl complex, [V(C9H9NO2)(C7H5O2)O], one of the ligands (2-formylphenol) is disordered over two sets of sites, with an occupancy ratio of 0.55 (2):0.45 (2). The metal atom is hexacoordinated, with a distorted octahedral geometry. The vanadyl O atom (which subtends the shortest V—O bond) occupies one of the apical positions and the remaining axial bond (the longest in the polyhedron) is provided by the (disordered) formyl O atoms. The basal plane is defined by the two phenoxide O atoms, the iminoalcoholic O and the imino N atom. The planes of the two benzene rings are almost perpendicular to each other, subtending an interplanar angle of 84.1 (2)° between the major parts. The crystal structure features weak C—H...O and C—H...π interactions, forming a lateral arrangement of adjacent molecules.

scholarly journals Crystal structure of tetraaqua(5,5′-dimethyl-2,2′-bipyridyl-κ2N,N′)iron(II) sulfate

2014 ◽  
Vol 70 (12) ◽  
pp. 544-546 ◽  
Author(s):  
Yamine Belamri ◽  
Fatima Setifi ◽  
Bojana M. Francuski ◽  
Sladjana B. Novaković ◽  
Setifi Zouaoui
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Bond ◽  
Octahedral Geometry ◽  
The Other ◽  
Distorted Octahedral Geometry ◽  
Cationic Complex ◽  
Centroid Distance ◽  
Distorted Octahedral ◽  
Coordination Bonds

In the title compound, [Fe(C12H12N2)(H2O)4]SO4, the central FeIIion is coordinated by two N atoms from the 5,5′-dimethyl-2,2′-bipyridine ligand and four water O atoms in a distorted octahedral geometry. The Fe—O coordination bond lengths vary from 2.080 (3) to 2.110 (3) Å, while the two Fe—N coordination bonds have practically identical lengths [2.175 (3) and 2.177 (3) Å]. The chelating N—Fe—N angle of 75.6 (1)° shows the largest deviation from an ideal octahedral geometry; the other coordination angles deviate from ideal values by 0.1 (1) to 9.1 (1)°. O—H...O hydrogen bonding between the four aqua ligands of the cationic complex and four O-atom acceptors of the anion leads to the formation of layers parallel to theabplane. Neighbouring layers further interact by means of C—H...O and π–π interactions involving the laterally positioned bipyridine rings. The perpendicular distance between π–π interacting rings is 3.365 (2) Å, with a centroid–centroid distance of 3.702 (3) Å.

The first three-dimensional FeIII–SrIIheterometallic coordination polymer: poly[[diaquatetrakis(μ3-pyridine-2,3-dicarboxylato)diiron(III)strontium(II)] dihydrate]

2015 ◽  
Vol 71 (10) ◽  
pp. 903-907 ◽  
Author(s):  
Yongfeng Yang ◽  
Tao Li ◽  
Yanmei Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Coordination Geometry ◽  
One Dimensional ◽  
Distorted Octahedral

The title compound, poly[[diaqua-1κ2O-tetrakis(μ3-pyridine-2,3-dicarboxylato)-2:1:2′κ10N,O2:O2′,O3:O3′;2:1:2′κ8O3:O3′:N,O2-diiron(III)strontium(II)] dihydrate], {[Fe2Sr(C7H3O4)4(H2O)2]·2H2O}n, which has triclinic (P\overline{1}) symmetry, was prepared by the reaction of pyridine-2,3-dicarboxylic acid, SrCl2·6H2O and Fe(OAc)2(OH) (OAc is acetate) in the presence of imidazole in water at 363 K. In the crystal structure, the pyridine-2,3-dicarboxylate (pydc2−) ligand exhibits μ3-η1,η1:η1:η1and μ3-η1,η1:η1,η1:η1coordination modes, bridging two FeIIIcations and one SrIIcation. The SrIIcation, which is located on an inversion centre, is eight-coordinated by six O atoms of four pydc2−ligands and two water molecules. The coordination geometry of the SrIIcation can be best described as distorted dodecahedral. The FeIIIcation is six-coordinated by O and N atoms of four pydc2−ligands in a slightly distorted octahedral geometry. Each FeIIIcation bridges two neighbouring FeIIIcations to form a one-dimensional [Fe2(pydc)4]nchain. The chains are connected by SrIIcations to form a three-dimensional framework. The topology type of this framework istfj. The structure displays O—H...O and C—H...O hydrogen bonding.

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