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 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 [(Pyridine-2,6-dicarboxylato)copper(II)]-μ-(pyridine-2,6-dicarboxylato)-[bis(ethylenediamine)copper(II)]-μ-(pyridine-2,6-dicarboxylato)-[(pyridine-2,6-dicarboxylato)copper(II)] ethylenediamine monosolvate tetrahydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m830-m831 ◽  
Author(s):  
Amir Shokooh Saljooghi ◽  
Hadi Amiri Rudbari ◽  
Francesco Nicolò ◽  
Maliheh Zahmati ◽  
Fatemeh Delavar Mendi
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Acetate Dihydrate ◽  
Carboxylate Groups ◽  
Distorted Octahedral

The title compound, [Cu3(C7H3NO4)4(C2H8N2)2]·C2H8N2·4H2O, was obtained by the reaction of copper(II) acetate dihydrate with pyridine-2,6-dicarboxylic acid (H2dipic) and ethylenediamine (en) in an aqueous solution. All of the CuII atoms in the trinuclear centrosymmetric title complex are six-coordinated in a distorted octahedral geometry with N2O4 and N4O2 environments for the outer and central CuII atoms, respectively. Various interactions, including numerous O—H...O and C—H...O hydrogen bonds and C—O...π stacking of the pyridine and carboxylate groups [O...centroid distances = 3.669 (2) and 3.668 (2) Å] are observed in the crystal structure.

scholarly journals Crystal structure ofcatena-poly[[(3-tert-butylpyridine-κN)(4-tert-butylpyridine-κN)cadmium]-di-μ-thiocyanato-κ2N:S;κ2S:N]

2014 ◽  
Vol 70 (12) ◽  
pp. m403-m404
Author(s):  
Julia Werner ◽  
Thorben Reinert ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Distorted Octahedral

In the crystal structure of the title compound, [Cd(NCS)2(C9H13N)2]n, the CdIIcations are coordinated in a slightly distorted octahedral geometry by one 3-tert-butylpyridine ligand, one 4-tert-butylpyridine ligand and two pairs of translationally-equivalent μ-1,3-bridging thiocyanate ligands, all of which are in general positions. These μ-1,3-bridging thiocyante anions bridge the CdIIcations, forming chains that propagate parallel to thebaxis.

scholarly journals Caesium bis(5-bromosalicylaldehyde thiosemicarbazonato-κ3O,N,S)ferrate(III): supramolecular arrangement of low-spin FeIIIcomplex anions mediated by Cs+cations

2015 ◽  
Vol 71 (3) ◽  
pp. 169-174
Author(s):  
Robyn Elizabeth Powell ◽  
Carl H. Schwalbe ◽  
Graham J. Tizzard ◽  
Petra J. van Koningsbruggen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Spin State ◽  
Structure Determination ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Crystal Structure Determination ◽  
Distorted Octahedral Geometry ◽  
Synthesis And Crystal Structure ◽  
Distorted Octahedral

The synthesis and crystal structure determination (at 293 K) of the title complex, Cs[Fe(C8H6BrN3OS)2], are reported. The compound is composed of two dianionicO,N,S-tridentate 5-bromosalicylaldehyde thiosemicarbazonate(2−) ligands coordinated to an FeIIIcation, displaying a distorted octahedral geometry. The ligands are orientated in two perpendicular planes, with the O- and S-donor atoms incispositions and the N-donor atoms intranspositions. The complex displays intermolecular N—H...O and N—H...Br hydrogen bonds, creatingR44(18) rings, which link the FeIIIunits in theaandbdirections. The FeIIIcation is in the low-spin state at 293 K.

scholarly journals Crystal structure of poly[aqua[μ-1,1′-(9,9-dimethyl-9H-fluoren-2,7-diyl)di-1H-imidazole](μ-naphthalene-1,4-dicarboxylato)nickel(II)]

2014 ◽  
Vol 70 (9) ◽  
pp. m324-m325
Author(s):  
Hengye Zou ◽  
Yanjuan Qi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Carboxylate Anions ◽  
Distorted Octahedral

In the title compound, [Ni(C12H6O4)(C21H18N4)(H2O)]n, the NiIIcation is coordinated by three carboxylate O atoms of two naphthalene-1,4-dicarboxylate anions, one water molecule and two N atoms of two 1,1′-(9,9-dimethyl-9H-fluoren-2,7-diyl)di-1H-imidazole (DFDI) ligands, giving rise to a slightly distorted octahedral geometry. The NiIIions are linked by the DFDI ligands into chains, which are further connected by the carboxylate anions into double chains that elongate in the theb-axis direction. These double chains are linked by centrosymmetric pairs of O—H...O hydrogen bonds into layers parallel to (10-1). The asymmetric unit consists of one crystallographically independent NiIIcation, one carboxylate and one DFDI ligand, as well as of one water molecule, all of them located in general positions.

scholarly journals Crystal structure of [1,1′′′-bis(pyrimidin-2-yl)-4,4′:2′,2′′:4′′,4′′′-quaterpyridine-1,1′′′-diium-κ2N1′,N1′′]bis[2-(pyridin-2-yl)phenyl-κ2N,C1]iridium(III) tris(hexafluoridophosphate) acetonitrile trisolvate

2015 ◽  
Vol 71 (8) ◽  
pp. 879-882 ◽  
Author(s):  
Benjamin J. Coe ◽  
Martyn K. Peers ◽  
James Raftery ◽  
Nigel S. Scrutton
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Distorted Octahedral ◽  
Two Component ◽  
Solvent Molecules

In the title compound, [Ir(C11H8N)2(C28H20N8)](PF6)3·3CH3CN or [IrIII(ppy)2{(2-pym)2qpy2+}](PF6)3·3CH3CN (ppy = deprotonated 2-phenylpyridine, pym = pyrimidyl and qpy = 4,4′:2′,2′′:4′′,4′′′-quaterpyridyl), the Ir3+cation is coordinated by two C atoms and four N atoms in a slightly distorted octahedral geometry. The asymmetric unit consists of one complex trication, three hexafluoridophosphate anions and three acetonitrile solvent molecules. The average Ir—C distance is 2.011 (14) Å, the average Ir—N(ppy) distance is 2.05 (6) Å and the average Ir—N(qpy) distance is longer at 2.132 (10) Å. The dihedral angles within the 4,4′-bipyridyl units are 31.5 (6) and 23.8 (7)°, while those between the 2-pym and attached pyridyl rings are rather smaller, at 11.7 (9) and 7.1 (9)°. The title compound was refined as a two-component inversion twin.

scholarly journals Tris(phenyl 2-pyridyl ketone oxime-κ2N,N′)cadmium(II) dinitrate

2009 ◽  
Vol 65 (6) ◽  
pp. m641-m641 ◽  
Author(s):  
Juan Yan ◽  
Guang-Xiang Liu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Chain Structure ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Distorted Octahedral ◽  
A Chain

The Cd atom in the title compound, [Cd(C12H10N2O)3](NO3)2, adopts a distorted octahedral geometry, being ligated by six N atoms from three different phenyl-2-pyridyl ketone oxime ligands. In the crystal structure, intermolecular O—H...O and C—H...O hydrogen bonds link the molecules into a chain structure propagating along [100]. The chains are further linked into a three-dimensional supramolecular structureviavan der Waals forces.

scholarly journals Tetraaquabis[4-(1H-imidazol-1-yl-κN3)benzoato]cobalt(II)

2012 ◽  
Vol 68 (4) ◽  
pp. m486-m487
Author(s):  
Jian Guo ◽  
Shao-Wei Tong ◽  
Jian-She Liu ◽  
Wen-Dong Song ◽  
Jing-Bo An
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Coordination Sphere ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Distorted Octahedral

In the title compound, [Co(C10H7N2O2)2(H2O)4], the CoIIatom lies on an inversion centre and displays a slightly distorted octahedral geometry. The coordination sphere is defined by two mutuallytransN atoms from two 4-(imidazol-1-yl)benzoate ligands and the O atoms from four water molecules. The crystal structure is stabilized by O—H...O hydrogen bonds.

scholarly journals Crystal structure, synthesis and thermal properties of tetrakis(4-benzoylpyridine-κN)bis(isothiocyanato-κN)iron(II)

2019 ◽  
Vol 75 (6) ◽  
pp. 917-920 ◽  
Author(s):  
Carsten Wellm ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Thermal Properties ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Structure Synthesis ◽  
Distorted Octahedral

The asymmetric unit of the title compound, [Fe(NCS)2(C12H9NO)4], consists of an FeII ion that is located on a centre of inversion, as well as two 4-benzoylpyridine ligands and one thiocyanate anion in general positions. The FeII ions are coordinated by two N-terminal-bonded thiocyanate anions and four 4-benzoylpyridine ligands into discrete complexes with a slightly distorted octahedral geometry. These complexes are further linked by weak C—H...O hydrogen bonds into chains running along the c-axis direction. Upon heating, this complex loses half of the 4-benzoylpyridine ligands and transforms into a compound with the composition Fe(NCS)2(4-benzoylpyridine)2, that might be isotypic to the corresponding MnII compound and for which the structure is unknown.

scholarly journals [5,10,15,20-Tetrakis(4-chlorophenyl)porphyrinato]bis(tributylphosphine)cobalt(III) perchlorate

2009 ◽  
Vol 65 (6) ◽  
pp. m698-m699
Author(s):  
Bijan Etemadi ◽  
Reza Kia ◽  
Mozaffar Asadi ◽  
Kh. Mohammadi
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Site Occupancy ◽  
Octahedral Geometry ◽  
Phosphine Ligands ◽  
Distorted Octahedral Geometry ◽  
Dihedral Angles ◽  
Methyl Groups ◽  
Π Interactions ◽  
Distorted Octahedral

In the molecule of the title compound, [Co(C44H24Cl4N4){(C4H9)3P}2]ClO4, the CoIIIcentre has a slightly distorted octahedral geometry and is coordinated by four N atoms of the tetrapyrrolic ring in the equatorial positions and two phosphine ligands in the axial positions. The dihedral angles betweenmeso-substituted chlorophenyl rings and the basic tetrapyrrolic ring are 82.66 (9), 82.16 (7), 83.97 (11) and 76.87 (8)°. In one of the phosphine ligands, the two terminal methyl groups are disordered over two positions with refined site-occupancy ratios of 0.70 (7):0.30 (7) and 0.66 (2):0.34 (2). In the crystal structure, molecules are linked together along theaaxis by intermolecular C—H...Cl interactions. The crystal structure is further stabilized by intramolecular C—H...O and C—H...N interactions and intermolecular C—H...O and C—H...π interactions.

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