scholarly journals catena-Poly[[bis(pyridine-κN)nickel(II)]-di-μ-thiocyanato-κ2N:S;κ2S:N]

2014 ◽  
Vol 70 (6) ◽  
pp. m196-m196 ◽  
Author(s):  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Title Compound ◽  
General Position ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Pyridine Ligands ◽  
Distorted Octahedral ◽  
Octahedral Configuration

In the title compound, [Ni(NCS)2(C5H5N)2]n, the Ni2+cation is coordinated by four thiocyanate anions (μ-1,3) and two pyridine ligands within a slightly distorted octahedral configuration. The Ni—N bond lengths to the pyridine rings are 2.1189 (17) and 2.1241 (17) Å, whereas those to the thiocyanate anions are 2.0299 (18) and 2.0359 Å. The Ni—S bond lengths are 2.5357 (6) and 2.5568 (6) Å. The Ni2+cations are linked byN:S-bridging thiocyanate ligands into chains extending along [010]. The Ni...Ni distance within the chains is 5.5820 (5) Å. The asymmetric unit contains two Ni2+cations of which one is located on a centre of inversion, whereas the second is located on a general position.

scholarly journals Tris(pyrrolidin-1-yl)carbenium tri-μ-iodido-bis[triiodidobismuthate(III)]

IUCrData ◽  
2016 ◽  
Vol 1 (3) ◽  
Author(s):  
Ioannis Tiritiris ◽  
Georg Knobloch ◽  
Stefan Saur ◽  
Willi Kantlehner
Keyword(s):  
Double Bond ◽  
Title Compound ◽  
Rotation Axis ◽  
Asymmetric Unit ◽  
Charge Delocalization ◽  
Iodide Ions ◽  
Bond Lengths ◽  
Distorted Octahedral ◽  
Methylene Groups ◽  
Bond Character

The asymmetric unit of the title compound, 3(C13H24N3)+[Bi2I9]3−, comprises two cations and one half of a [Bi2I9]3−ion. The C—N bond lengths of the CN3units in both cations range from 1.336 (3) to 1.364 (5) Å, indicating partial double-bond character pointing towards charge delocalization within the NCN planes. All five-membered rings adopt an envelope conformation with the C atoms as the flap. One of the pyrrolidine rings (cation I) is disordered over two alternative envelope conformations. Two sets of positions were found for two of the methylene groups with an occupancy ratio of 0.757 (10):0.243 (10). The second disordered pyrrolidine moiety (cation II) is disordered around a twofold rotation axis and exhibits two half-occupied symmetry equivalent counterparts. The two BiIIIions are coordinated by six iodide ions in a distorted octahedral manner, with the Bi–I bond lengths ranging from 2.9544 (2) to 3.2414 (2) Å. Two [BiI6]3−octahedra are fused together through face-sharing, forming a dinuclear [Bi2I9]3−unit. The bond lengths of bismuth to the terminal iodides [2.9544 (2)–2.9889 (2) Å] are shorter than the bridging ones [3.1450 (2)–3.2414 (2) Å].

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.

Calcium-bis[N,N'-bis(trimethylsilyl)benzamidinat]-THF (1/2) - Synthese, spektroskopische Charakterisierung und Struktur/Calcium-bis[N,N'-bis(trimethylsilyl)benzamidinate]-THF (1/2) - Syntheses, Spectroscopic Characterization and Structure

1992 ◽  
Vol 47 (4) ◽  
pp. 453-459 ◽  
Author(s):  
Matthias Westerhausen ◽  
Wolfgang Schwarz
Keyword(s):  
Title Compound ◽  
High Field ◽  
Spectroscopic Characterization ◽  
Calcium Atom ◽  
Space Group ◽  
Bond Lengths ◽  
H Nmr ◽  
Distorted Octahedral ◽  
Anionic Charge ◽  
Field Shift

The reaction of calcium-bis[bis(trimethylsilyl)amide]-THF (1/2) with benzonitrile in THF nearly quantitatively yields the title compound calcium-bis[N,N'-bis(trimethylsilyl)- benzamidinate]-THF (1/2). Under similar conditions pivalonitrile substitutes an ether ligand of calcium-bis[bis(trimethylsilyl)amide]-DME (1/2) without the formation of the corresponding amidinate derivative. The calcium-di(benzamidinate) [H5C6-C(NSiMe3)2]2Ca · 2THF crystallizes in the space group Pbcn with {a = 188.8(6); b = 1286.0(3); c = 1802.5(5) pm; Z = 4}. The calcium atom is hexa-coordinate with a distorted octahedral trans-configuration and with Ca - O and Ca - N bond distances of 238 and 243 pm, respectively. The bond lengths within the NCN moiety with values of 132 pm are characteristic of a diazaallylic system. The short N - Si bond lengths of about 170.5 pm as well as the high field shift of the 29Si{1H} NMR signal are evidence for an effective backdonation of the anionic charge from the nitrogen to the silicon atoms.

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 Tris(2-acetylcyclopentan-1-onato-κ2 O,O′)aluminium

2012 ◽  
Vol 68 (6) ◽  
pp. m781-m781
Author(s):  
Franc Perdih
Keyword(s):  
Title Compound ◽  
Thermal Motion ◽  
The Other ◽  
Distorted Octahedral Environment ◽  
Bond Lengths ◽  
Octahedral Environment ◽  
Distorted Octahedral

In the title compound, [Al(C7H9O2)3], the AlIII cation is coordinated by six O atoms from three 2-acetylcyclopentanonate ligands in a slightly distorted octahedral environment, with Al—O bond lengths in the range 1.882 (2)–1.896 (2) Å. In the crystal, molecules are linked together via C—H...O interactions. One of the C atoms in one ring has a large thermal motion compared to the other atoms, indicating some possible disorder. However, the treatment of this C atom as disordered over two positions did not give a significant improvement.

scholarly journals Tris[2,4-dichloro-6-(ethyliminomethyl)phenolato-κ2N,O]cobalt(III)

2012 ◽  
Vol 68 (8) ◽  
pp. m1047-m1047 ◽  
Author(s):  
Qiu Ping Huang ◽  
Jing Jing Guo ◽  
Yi Dong Zhang ◽  
Shu Hua Zhang
Keyword(s):  
Hydrogen Bond ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Distorted Octahedral Environment ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Phenolate Ligands ◽  
Independent Molecules

The asymmetric unit of the title compound, [Co(C9H8Cl2NO)3], contains three independent molecules. In each molecule, the CoIIIion is coordinated by an O atom and an N atom from three bidentate 2,4-dichloro-6-(ethyliminomethyl)phenolate ligands in a slightly distorted octahedral environment. In the crystal, a weak C—H...Cl hydrogen bond is observed.

2,5-Dibromopyridinium hexabromidostannate(IV)

2007 ◽  
Vol 63 (3) ◽  
pp. m892-m894 ◽  
Author(s):  
Basem Fares Ali ◽  
Rawhi Al-Far
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Axis ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C ◽  
Distorted Octahedral

The asymmetric unit of the title compound, (C5H4Br2N)2[SnBr6], contains one cation and one half-anion. The anion exhibits a distorted octahedral arrangement about the Sn atom, which lies on a crystallographic twofold rotation axis. In the crystal structure, intermolecular hydrogen bonds and short Br...Br interactions cause the formation of a supramolecular architecture, in which they may be effective in the stabilization of the structure.

scholarly journals Diaquabis[2,6-bis(4H-1,2,4-triazol-4-yl)pyridine-κN2]bis(selenocyanato-κN)cobalt(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1097-m1098
Author(s):  
Yuan-Yuan Liu ◽  
Pan Yang
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Pyridine Ligand ◽  
Complex Molecules ◽  
Pyridine Ligands

In the title compound, [Co(NCSe)2(C9H7N7)2(H2O)2], the Co2+cation is coordinated by two selenocyanate anions, two 2,6-bis(4H-1,2,4-triazol-4-yl)pyridine ligands and two water molecules within a slightly distorted N4O2octahedron. The asymmetric unit consists of one Co2+cation, which is located on a center of inversion, as well as one selenocyanate anion, one 2,6-bis(4H-1,2,4-triazol-4-yl)pyridine ligand and one water molecule in general positions. Intermolecular O—H...N hydrogen bonds join the complex molecules into layers parallel to thebcplane. The layers are linked by C—H...N and C—H...Se hydrogen bonds into a three-dimensional supramolecular architecture.

(2-Methyldithiobenzoato-κS)(triphenylphosphine-κO)gold(I)

2006 ◽  
Vol 62 (4) ◽  
pp. m889-m890 ◽  
Author(s):  
Jennifer S. Macalindong ◽  
Frank R. Fronczek ◽  
Judith A. Schuerman ◽  
Joel Selbin ◽  
Steven F. Watkins
Keyword(s):  
Title Compound ◽  
Asymmetric Unit ◽  
Gold Complexes ◽  
Torsion Angles ◽  
Bond Angles ◽  
Bond Lengths

The asymmetric unit of the title compound, o-CH3(C6H4)C(S)S–Au–P(C6H5)3 or [Au(C8H7S2)(C18H15P)], consists of two quasi-linear gold complexes. The S—Au—P bond angles [173.83 (2), 175.03 (2)°], S—Au bond lengths [2.3240 (6), 2.3329 (6) Å] and Au—P bond lengths [2.2568 (6), 2.2632 (6) Å] are consistent with previously reported values. The major difference in the two molecules is that the o-methylphenyl rings are twisted with respect to the dithiocarboxyl planes by 73.0 (3)° and 46.6 (3)°, as measured by S—C—C—C torsion angles.

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