scholarly journals Crystal structure of di-μ-chloroacetato-hexakis(dimethylformamide)tetrakis(μ-N,2-dioxidobenzene-1-carboximidato)tetramanganese(III)disodium dimethylformamide disolvate

2014 ◽  
Vol 70 (12) ◽  
pp. 494-498 ◽  
Author(s):  
Connor I. Daly ◽  
Matthias Zeller ◽  
Curtis M. Zaleski
Keyword(s):  
Crystal Structure ◽  
Repeat Unit ◽  
Solvent Molecule ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Central Cavity ◽  
Pyramidal Geometry ◽  
Distorted Octahedral ◽  
Ft Ir ◽  
Square Pyramidal Geometry

The synthesis, crystal structure, and FT–IR data for the title compound, [Na2Mn4(C2H2ClO2)2(C7H4NO3)4(C3H7NO)6]·2C3H7NO or Na2(O2CCH2Cl)2[12-MCMnIIIN(shi)-4](DMF)6·2DMF, where MC is metallacrown, shi3−is salicylhydroximate, and DMF isN,N-dimethylformamide, is reported. The macrocyclic metallacrown consists of an –[MnIII—N—O]4– ring repeat unit and the metallacrown captures two Na+ions in the central cavity above and below the plane of the metallacrown. Each Na+ion is seven-coordinate and is bridged to two ring MnIIIions, through either a coordinating DMF molecule or a chloroacetate anion. The ring MnIIIions have either a tetragonally distorted octahedral geometry or a distorted square-pyramidal geometry. Weak C—H...O interactions, in addition to pure van der Waals forces, contribute to the overall packing of the molecules. The complete molecule has inversion symmetry and is disordered over two sets of sites with an occupancy ratio of 0.8783 (7):0.1217 (7). The solvent molecule is also disordered over two sets of sites, with an occupancy ratio of 0.615 (5):0.385 (5).

scholarly journals Crystal structure of tetraaqua(dimethylformamide)tetrakis(μ-N,2-dioxidobenzene-1-carboximidato)tetrakis(μ-trimethylacetato)tetramanganese(III)sodiumyttrium–dimethylformamide–water (1/8.04/0.62)

2015 ◽  
Vol 71 (11) ◽  
pp. 1300-1306 ◽  
Author(s):  
Jordan R. Travis ◽  
Matthias Zeller ◽  
Curtis M. Zaleski
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Repeat Unit ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Central Cavity ◽  
Synthesis And Crystal Structure ◽  
Distorted Octahedral

The synthesis and crystal structure for the title compound, [YNaMn4(C7H4NO3)4(C5H9O2)4(H2O)3.76(C3H7NO)0.24]·8.04C3H7NO·0.62H2O or [YIIINa(OTMA)4[12-MCMn(III)N(shi)-4](H2O)3.76(DMF)0.24·8.04DMF·0.62H2O, where OTMA is trimethylacetate, MC is metallacrown, shi3−is salicylhydroximate, and DMF isN,N-dimethylformamide, is reported. The macrocyclic metallacrown consists of an –[MnIII–N–O]4– ring repeat unit, and the metallacrown captures one YIIIion and one NaIion in the central cavity on opposite faces of the metallacrown. Overall the metallacrown is domed towards the side of the NaIion. Both the YIIIand NaIions are eight-coordinate, and the trimethylacetate anions bridge the central YIIIto each ring MnIIIion. The ring MnIIIions are six-coordinate with a tetragonally distorted octahedral geometry.

scholarly journals Crystal structure of aqua[(E)-N′-(5-bromo-2-oxidobenzylidene-κO)benzohydrazidato-κ2O,N′]dioxidomolybdenum(VI) dimethylformamide monosolvate

2015 ◽  
Vol 71 (6) ◽  
pp. 702-705 ◽  
Author(s):  
Radhika Sudheer ◽  
M. Sithambaresan ◽  
N. R. Sajitha ◽  
E. Manoj ◽  
M. R. Prathapachandra Kurup
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Solvent Molecule ◽  
Membered Ring ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Ligand ◽  
Aromatic Rings ◽  
Centroid Distance ◽  
Distorted Octahedral

The title compound, [Mo(C14H9BrN2O2)O2(H2O)]·C3H7NO, has a distorted octahedral geometry around the Mo atom, with the two terminal oxide groups lyingcisto each other. The two aromatic rings present in the molecule are almost coplanar, forming a dihedral angle of 1.4 (2)°. The five-membered ring involving the metal atom is puckered, with an amplitudeQ= 0.358 (2) Å and ϕ = 204.1 (6)°. In the crystal, pairs of inversion-related molecules are linked by O—H...N hydrogen bonds. An O—H...O hydrogen bond connects the water ligand to the dimethylformamide solvent molecule. The crystal packing also features π–π [centroid–centroid distance of 3.688 (2) Å] and C—H...O interactions.

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 Poly[di-μ9-citrato-tetrasodiumzinc]

2013 ◽  
Vol 69 (12) ◽  
pp. m672-m672 ◽  
Author(s):  
Yu-Hong Ma ◽  
Hong-Wei Yang ◽  
Jing-Tuan Hao ◽  
Pi-Zhuang Ma ◽  
Ting Yao
Keyword(s):  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Pyramidal Geometry ◽  
Carboxylate Groups ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Square Pyramidal Geometry

In the title compound, [Na4Zn(C6H5O7)2]n, the ZnIIion lies on an inversion center and is coordinated by six O atoms from two citrate ligands, forming a distorted octahedral geometry. There are two crystallographically independent Na+cations in the asymmetric unit. One Na+cation exhibits a distorted square-pyramidal geometry defined by five O atoms from four citrate ligands. The other Na+cation is surrounded by six O atoms from five citrate ligands in a distorted octahedral geometry. The Na+cations are bridged by citrate carboxylate groups, forming a layer parallel to (100). The layers are further assembled into a three-dimensional network with the [Zn(citrate)2]4−building units as `pillars'; O—H...O hydrogen bonds also stabilize the structure.

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 Bis[tetrakis(pyridin-2-yl)methane-κ3N,N′,N′′]cobalt(II) tetrakis(thiocyanato-κN)cobaltate(II) methanol monosolvate

2014 ◽  
Vol 70 (3) ◽  
pp. m96-m97 ◽  
Author(s):  
Yuya Tsunezumi ◽  
Kouzou Matsumoto ◽  
Shinya Hayami ◽  
Akira Fuyuhiro ◽  
Satoshi Kawata
Keyword(s):  
Complex Anion ◽  
Complex Cation ◽  
Solvent Molecule ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Weak Hydrogen Bond ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
Distorted Octahedral

The title complex, [Co(C21H16N4)2][Co(NCS)4]·CH3OH, consists of one [Co{C(py)4}2]2+complex cation [C(py)4= tetrakis(pyridin-2-yl)methane], one [Co(NCS)4]2−complex anion and a methanol solvent molecule. In the cation, the CoIIatom is coordinated by six N atoms of two C(py)4ligands in a distorted octahedral geometry. In the anion, the CoIIatom is coordinated by the N atoms of four NCS−ligands in a distorted tetrahedral geometry. The methanol molecule is disordered and was modelled over three orientations (occupancies 0.8:0.1:0.1). There are two weak hydrogen-bond-like interactions between the methanol solvent molecule and NCS−ligands of the anion [O...S = 3.283 (3) and 3.170 (2) Å].

scholarly journals Crystal structures of two heterotrimetallic dysprosium–manganese–sodium 12-metallacrown-4 complexes with the bridging ligands 3-hydroxybenzoate and 4-hydroxybenzoate

2020 ◽  
Vol 76 (8) ◽  
pp. 1213-1221
Author(s):  
Elizabeth C. Manickas ◽  
Matthias Zeller ◽  
Curtis M. Zaleski
Keyword(s):  
Crystal Structures ◽  
Repeat Unit ◽  
Distorted Octahedral Geometry ◽  
Central Cavity ◽  
Bridging Ligands ◽  
The Third ◽  
Distorted Octahedral ◽  
Solvent Molecules ◽  
Whole Molecule Disorder ◽  
Trigonal Prismatic

The syntheses and crystal structures for the compounds tetra-μ-aqua-tetrakis{2-[azanidylene(oxido)methyl]phenolato}tetrakis(μ2-3-hydroxybenzoato)dysprosium(III)tetramanganese(III)sodium(I) N,N-dimethylacetamide decasolvate, [DyMn4Na(C7H5O3)4(C7H4NO2)4(H2O)4]·10C4H9NO or [DyIIINa(4-OHben)4{12-MCMn(III)N(shi)-4}(H2O)4]·10DMA, 1, and tetra-μ-aqua-tetrakis{2-[azanidylene(oxido)methyl]phenolato}tetrakis(μ2-3-hydroxybenzoato)dysprosium(III)tetramanganese(III)sodium(I) N,N-dimethylformamide tetrasolvate, [DyMn4Na(C7H5O3)4(C7H4NO2)4(H2O)4]·4C3H7NO or [DyIIINa(3-OHben)4{12-MCMn(III)N(shi)-4}(H2O)4]·4DMF, 2, and where MC is metallacrown, shi3− is salicylhydroximate, 3-OHben is 3-hydroxybenzoate, DMA is N,N-dimethylacetamide, 4-OHben is 4-hydroxybenzoate, and DMF is N,N-dimethylformamide, are reported. For both 1 and 2, the macrocyclic metallacrown consists of an [MnIII—N—O] ring repeat unit, and the domed metallacrown captures two ions in the central cavity: a DyIII ion on the convex side of the metallacrown and an Na+ ion the concave side. The MnIII ions are six-coordinate with an elongated tetragonally distorted octahedral geometry. Both the DyIII and Na+ ions are eight-coordinate. The DyIII ions possess a square-antiprismatic geometry, while the Na+ ions have a distorted biaugmented trigonal–prismatic geometry. Four 3-hydroxybenzoate or 4-hydroxybenzoate ligands bridge each MnIII ion to the central DyIII ion. For 1, whole-molecule disorder is observed for the main molecule, excluding only the DyIII and Na+ ions, and the occupancy ratio refined to 0.8018 (14):0.1982 (14). Three DMA molecules were refined as disordered with two in general positions by an approximate 180° rotation and the third disordered twice by general disorder as well as by an exact 180° rotation about a twofold axis that bisects it. The occupancy ratios refined to 0.496 (8):0.504 (8), 0.608 (9):0.392 (9), and 2×0.275 (7):2×0.225 (7), respectively. For 2, segments of the metallacrown are disordered including the DyIII ion, one of the Mn ions, two of the Mn-bound 4-hydroxybenzoate ligands, the Mn-bridging salicylhydroximate ligand, and portions of the remaining three shi3− ligands. The occupancy ratio for the metallacrown disorder refined to 0.849 (9):0.151 (9). Two DMF solvent molecules are also disordered, each over two orientations. The disorder ratios refined to 0.64 (3):0.36 (3) and to 0.51 (2):0.49 (2), respectively. For 2, the crystal under investigation was refined as a non-merohedric twin by a 90° rotation around the real a axis [twin ratio 0.9182 (8):0.0818 (8)].

scholarly journals fac-[1,2-Bis(pyridin-4-yl)ethane-κN]tricarbonyl(1,10-phenanthroline-κ2N,N′)rhenium(I) hexafluoridophosphate acetonitrile monosolvate

2014 ◽  
Vol 70 (7) ◽  
pp. m278-m279 ◽  
Author(s):  
Silvana Guilardi ◽  
Antonio Otavio Toledo Patrocinio ◽  
Sinval Fernandes de Sousa ◽  
Javier Ellena
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Solvent Molecule ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Carbonyl Ligands ◽  
Distorted Octahedral ◽  
Phenanthroline Ligand ◽  
Solvent Molecules

The asymmetric unit of the title compound, [Re(C12H8N2)(C12H12N2)(CO)3]PF6.·CH3CN, contains one cation, one hexafluoridophosphate anion and one acetonitrile solvent molecule. The ReIion is coordinated by two N atoms from the 1,10-phenanthroline ligand and one N atom from the 1,2-bis(pyridin-4-yl)ethane ligand [mean Re—N = 2.191 (15) Å] and by three carbonyl ligands [mean Re—C = 1.926 (3) Å] in a distorted octahedral geometry. The electrostatic forces and weak C—H...F(O) hydrogen bonds pack cations and anions into the crystal with voids of 82 Å3, which are filled by solvent molecules. The crystal packing exhibits short intermolecular O...O distance of 2.795 (5) Å between two cations related by inversion.

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.

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