scholarly journals Dicarbonyl(η5-cyclopentadienyl)(hexamethylenetetramine-κN1)iron(II) tetrafluoridoborate

2012 ◽  
Vol 68 (8) ◽  
pp. m1077-m1077
Author(s):  
Cyprian M. M'thiruaine ◽  
Holger B. Friedrich ◽  
Bernard Omondi
Keyword(s):  
Title Compound ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Apical Position ◽  
Bond Lengths ◽  
Coordination Sites ◽  
Cyclopentadienyl Ligand ◽  
Distorted Octahedral

In the structure of the title compound, [Fe(C5H5)(C6H12N4)(CO)2]BF4, the arrangement around the FeIIatom corresponds to that of a three-legged piano stool. The cyclopentadienyl ligand occupies three coordination sites of the apical position in a η5fashion, while two CO ligands and one N atom of the hexamethylenetetramine ligand occupy the remaining coordination sites to complete a distorted octahedral geometry. The asymmetric unit consists of two sets of crystallographically independent cations and anions with the r.m.s. deviations of the overlay of non-H atoms of each pair being 0.081 and 0.120 Å, respectively. The Fe—N bond lengths are 2.0459 (15) and 2.0490 (14) Å, while the Fe—Cp(centroid) distances are 1.7257 (3) and 1.7246 (3) Å. One of the anions displays disorder, with the F atoms having occupancies of 0.58 (4) and 0.42 (4).

scholarly journals Diaquabis(2,2′-bi-1H-imidazole)manganese(II) benzene-1,4-dicarboxylate

2012 ◽  
Vol 68 (6) ◽  
pp. m829-m829
Author(s):  
Lining Yang ◽  
Yanxiang Zhi ◽  
Jiahui Hei ◽  
Yanqing Miao
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Centroid Distance ◽  
Distorted Octahedral

The asymmetric unit of the title compound, [Mn(C6H6N4)2(H2O)2](C8H4O4), contains one-half each of the centrosymmetric cation and anion. The MnII atom is coordinated by four N atoms [Mn—N = 2.2168 (14) and 2.2407 (14) Å] from two 2,2′-biimidazole ligands and two water molecules [Mn—O = 2.2521 (14) Å] in a distorted octahedral geometry. Intermolecular N—H...O and O—H...O hydrogen bonds consolidate the crystal packing, which also exhibits π–π interactions between five-membered rings, with a centroid–centroid distance of 3.409 (2) Å.

scholarly journals Poly[[tetra-μ-cyanido-κ8C:N-dodeca-cyanido-κ12C-tris(N,N-dimethylformamide-κO)tris(methanol-κO)tris(3,4,7,8-tetramethyl-1,10-phenanthroline-κ2N,N′)trimanganese(II)ditungstate(V)] dihydrate]

2014 ◽  
Vol 70 (5) ◽  
pp. m170-m171
Author(s):  
Fei-Lin Yang ◽  
Dan Yang
Keyword(s):  
Water Molecule ◽  
Title Compound ◽  
Chain Structure ◽  
Octahedral Geometry ◽  
The Other ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Distorted Octahedral

The asymmetric unit of the title compound, {[Mn3{W(CN)8}2(C16H16N2)3(C3H7NO)3(CH3OH)3]·2H2O}n, consists of three [Mn(N,N-dimethylformamide)(methanol)(3,4,7,8-tetramethyl-1,10-phenanthroline)]2+cations, two [W(CN)8]3−anions and two water molecules. Each water molecule is disordered over three sets of sites, with a refined occupancy ratio of 0.310 (9):0.275 (9):0.415 (9) for one molecule and 0.335 (9):0.288 (9):0.377 (9) for the other molecule. The MnIIatoms exhibit a distorted octahedral geometry, while the WVatoms adopt a distorted square-antiprismatic geometry. The MnIIand WVatoms are linked alternatively through cyanide groups, forming a tetranuclear 12-atom rhombic metallacycle. Adjacent metallacycles are further connected by μ2-bridging cyanide anions, generating a 3,2-chain structure running parallel to [101]. Interchain π–π interactions are observed [centroid–centroid distances = 3.763 (3) and 3.620 (2) Å].

scholarly journals Poly[(μ6-benzene-1,3,5-tricarboxylato-κ6O1:O1′:O3:O3′:O5:O5′)tris(N,N-dimethylformamide-κO)tris(μ3-formato-κ3O:O:O′)trizinc(II)]

2013 ◽  
Vol 69 (11) ◽  
pp. m619-m619
Author(s):  
Jaeung Sim ◽  
Taemin Kim ◽  
Jin Kuk Yang
Keyword(s):  
Title Compound ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Distorted Octahedral

The asymmetric unit of the title compound, [Zn3(HCO2)3(C9H3O6)(C3H7NO)3]n, contains one Zn ion, one formate ligand, oneN,N-dimethylformamide (DMF) ligand and one-third of a benzene-1,3,5-tricarboxylate (btc) ligand situated on a crystallographic 3 axis. Each ZnIIatom is coordinated by one O atom from a DMF ligand, two O atoms from two btc ligands and three O atoms from three formate ligands in a distorted octahedral geometry. The ZnIIatoms are connected by the formate and btc ligands, forming hexanuclear cores, which are linked by btc ligands, constructing a two-dimensional layered network along theabplane.

scholarly journals Dichloridobis[ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate-κ2 O,N 3]cadmium

2012 ◽  
Vol 68 (6) ◽  
pp. m788-m789
Author(s):  
Lai-Jun Zhang ◽  
Fa-Yun Chen ◽  
Guang-Yi Liu ◽  
Xiao Chen ◽  
Zhi-Feng Chen
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Complex Molecules ◽  
Acetate Ligand ◽  
Distorted Octahedral

The asymmetric unit of the title compound, [CdCl2(C7H10N2O2S)2], contains two complex molecules with similar configurations. The CdII atoms are each six-coordinated by two thiazole N and two carbonyl O atoms from the 2-(2-amino-1,3-thiazol-4-yl)acetate ligand, and by two Cl− anions in a distorted octahedral geometry. In the crystal, intra- and intermolecular N—H...Cl hydrogen bonds create parallel chains along [1-10]. C—H...Cl interactions also occur.

Bis{4-bromo-2-[3-(dimethylamino)propyliminomethyl]phenolato}nickel(II)

2007 ◽  
Vol 63 (3) ◽  
pp. m749-m750 ◽  
Author(s):  
Li-Zhong Li ◽  
Li-Hua Wang
Keyword(s):  
Schiff Base ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Schiff Base Ligands ◽  
Distorted Octahedral

The title compound, [Ni(C12H16BrN2O)2], crystallizes with two half-molecules per asymmetric unit; each mononuclear molecule is centrosymmetric. The NiII atom in each molecule, lying on an inversion centre, is six-coordinated in a slightly distorted octahedral geometry by two phenolate O atoms, two imine N atoms and two amine N atoms from two Schiff base ligands.

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.

Dichlorido(N,N′-dibenzylideneethane-1,2-diamine-κ2 N,N′)[(2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanolato)-κ2 O,O′]titanium(IV)

2007 ◽  
Vol 63 (11) ◽  
pp. m2842-m2843 ◽  
Author(s):  
Chien-An Chen ◽  
Liang-Ying Chiang ◽  
Han-Mou Gau
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Chloride Ions ◽  
Octahedral Geometry ◽  
Metal Center ◽  
Distorted Octahedral Geometry ◽  
Titanium Metal ◽  
Bond Lengths ◽  
Distorted Octahedral ◽  
Chloride Ligands

The title compound, [TiCl2(C31H28O4)(C16H16N2)], is a titanium(IV) complex of the bidentate 2,2-dimethyl-α,α,α′,α′-tetraphenyl-1,3-dioxolane-4,5-dimethanolate (TADDOLate) ligand containing also two chloride ions and a bidentate neutral N,N′-dibenzylideneethane-1,2-diamine ligand. The molecular structure has a distorted octahedral geometry around the titanium metal center. The Ti—N bond lengths of 2.246 (2) and 2.2476 (17) Å are long, indicating weak bonding between the titanium(IV) metal center and the imine N atoms. Though the two chloride ligands are trans to each other, they bend away from the Ti–TADDOLate bonds with a Cl—Ti—Cl angle of 163.96 (3)°.

scholarly journals Tetrachlorido(1,10-phenanthroline-κ2N,N′)tin(IV) 1,2-dichloroethane hemisolvate

2009 ◽  
Vol 65 (6) ◽  
pp. m690-m690 ◽  
Author(s):  
Badri Z. Momeni ◽  
Frank Rominger ◽  
Simin S. Hosseini
Keyword(s):  
Title Compound ◽  
Crystal Packing ◽  
Interplanar Distance ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Distorted Octahedral

The asymmetric unit of the title compound, [SnCl4(C12H8N2)]·0.5C2H4Cl2, contains a tin complex and one disordered half-molecule of the solvent dichloroethane [occupancies 0.71 (2):0.29 (2)]. The six coordinate Sn(IV) atom adopts a distorted octahedral geometry. π–π interactions between adjacent aromatic rings [interplanar distance 3.483 (5) Å] seem to be effective in the stabilization of the crystal packing.

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 Bis(acetato-κO)bis{2-[4-(pyridin-2-yl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline-κ2N,N′}cadmium(II)

IUCrData ◽  
2016 ◽  
Vol 1 (1) ◽  
Author(s):  
Lei-Qun Guo ◽  
Yin-Hua Jiang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Linear Chains ◽  
Distorted Octahedral ◽  
The Mean ◽  
Centrosymmetric Molecule

The asymmetric unit of the title compound, [Cd(CH3COO)(C24H15N5)], comprises one-half of the centrosymmetric molecule. The CdIIion, situated on a centre of inversion, is coordinated by two O atoms from two acetate ligands and four N atoms from two 2-[4-(pyridin-2-yl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline (L) ligands in a distorted octahedral geometry. In theLligand, the terminal phenyl and pyridine rings are turned away from the mean plane of the imidazo[4,5-f][1,10]phenanthroline fragment in opposite directions, at 11.1 (1) and 10.5 (1)°, respectively. In the crystal, N—H...O hydrogen bonds link molecules related by translation along theaaxis into linear chains, and weak C—H...N interactions link these chains into layers parallel to the (011) plane.

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