Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Hexakis(acetonitrile-?N)ruthenium(II) bis-(hexa-bromo-carbadodeca-borate) aceto-nitrile solvate.

ABSTRACT: The title compound, [Ru(NCCH(3))(6)](CH(6)B(11)Br(6))(2)·CH(3)CN, consists of the 'naked' ruthenium(II) cation surrounded by six acetonitrile mol-ecules, each coordinated via the nitro-gen atoms in a linear or nearly-linear fashion in a typical octa-hedral over-all arrangement. The cation is balanced by the two hexa-bromo-carborane cage anionic fragments [CB(11)H(6)Br(6)]. Weak C-H?Br and B-H?Br inter-actions link neighboring anions.

SUBMITTER: Masland J

PROVIDER: S-EPMC2983605 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Hexakis(acetonitrile-κN)ruthenium(II) bis-(hexa-bromo-carbadodeca-borate) aceto-nitrile solvate.

Masland Joshua J Diaz Jason J Eady Shawn S Lobkovsky Emil E Larsen Anna A

Acta crystallographica. Section E, Structure reports online 20100224 Pt 3

The title compound, [Ru(NCCH(3))(6)](CH(6)B(11)Br(6))(2)·CH(3)CN, consists of the 'naked' ruthenium(II) cation surrounded by six acetonitrile mol-ecules, each coordinated via the nitro-gen atoms in a linear or nearly-linear fashion in a typical octa-hedral over-all arrangement. The cation is balanced by the two hexa-bromo-carborane cage anionic fragments [CB(11)H(6)Br(6)]. Weak C-H⋯Br and B-H⋯Br inter-actions link neighboring anions. ...[more]

PMID: 21580262

Similar Datasets

(2,2'-Bi-pyridine)-chlorido-[diethyl (2,2':6',2''-terpyridin-4-yl)phospho-nate]ruthenium(II) hexa-fluorido-phosphate aceto-nitrile/water solvate.

Project description:The cationic complex in the title compound, [RuCl(C10H8N2)(C19H20N3O3P)]PF6·0.83CH3CN·0.17H2O, is a water-oxidation precatalyst functionalized for TiO2 attachment via terpyridine phospho-nate. The The Ru(II) atom in the complex has a distorted octa-hedral geometry due to the restricted bite angle [159.50?(18)°] of the terpyridyl ligand. The dihedral angle between the least-squares planes of the terpyridyl and bipyridyl moieties is 86.04?(14)°. The mean Ru-N bond length for bi-pyridine is 2.064?(5)?Å, with the bond opposite to Ru-Cl being 0.068?Å shorter. For the substituted terpyridine, the mean Ru-N distance involving the outer N atoms trans to each other is 2.057?(6)?Å, whereas the bond length involving the central N atom is 1.944?(5)?Å. The Ru-Cl distance is 2.4073?(15)?Å. The P atom of the phospho-nate group lies in the same plane as its adjacent pyridyl ring, with the ordinary character of the bond between P and Ctpy [1.801?(6)?Å] allowing for free rotation of the terpyridine substituent around the P-Ctpy axis. The aceto-nitrile solvent mol-ecule was refined to be disordered with two water mol-ecules; occupancies for the acetontrile and water mol-ecules were 0.831?(9) and 0.169?(9), respectively. Also disordered was the PF6 (-) counter-ion (over three positions) and one of the eth-oxy substituents (with two positions). The crystal structure shows significant intra- and inter-molecular H?X contacts, especially some involving the Cl(-) ligand.

| S-EPMC3884400 | biostudies-literature

Tris(aceto-nitrile-?N)dichlorido(tri-phenyl-phosphane-?P)ruthenium(II) aceto-nitrile monosolvate.

Project description:In the title complex, [RuCl2(CH3CN)3(C18H15P)]·CH3CN, the coordination geometry of the Ru(II) atom is distorted octa-hedral, defined by one P atom from a tri-phenyl-phosphane ligand, three N atoms from three aceto-nitrile ligands and two Cl atoms. The three acetronitile ligands linearly bind to the Ru(II) atom, with Ru-N-C angles of 172.6?(2), 179.9?(2) and 171.4?(2)°.

| S-EPMC3684898 | biostudies-literature

Bis(2,2'-bipyridine)(5-isothio-cyanato-1,10-phenanthroline)ruthenium(II) bis-(hexa-fluoridophosphate) acetonitrile solvate.

Project description:The title compound, [Ru(C(10)H(8)N(2))(2)(C(13)H(7)N(3)S)](PF(6))(2)·CH(3)CN, was synthesized by the reaction of thio-phosgene and bis-(2,2'-bipyridine)(1,10-phenanthrolin-5-amine)ruthenium(II) bis-(hexa-fluoridophosphate). The Ru(II) atom adopts a slightly distorted octa-hedral RuN(6) coordinaton formed by four N atoms of two bipyridine ligands and by two N atoms of the 1,10-phenantroline ligand. The isothio-cyanate group is almost linear, with an N-C-S angle of 174.4?(6)°. Two of the three hexa-fluoridophosphate counter-anions are located on inversion centres.

| S-EPMC2970250 | biostudies-literature

Tetra-aceto-nitrile-lithium tetra-iso-thio-cyanato-borate.

Project description:The crystal structure of the title salt, [Li(CH3CN)4][B(NCS)4], is composed of discrete cations and anions. Both the Li and B atoms show a tetra-hedral coordination by four equal ligands. The aceto-nitrile and iso-thio-cyanate ligands are linear. The bond angles at the B atom are close to the ideal tetra-hedral value [108.92?(18)-109.94?(16)°], but the bond angles at the Li atom show larger deviations [106.15?(17)-113.70?(17)°].

| S-EPMC3647800 | biostudies-other

[2,6-Bis(5-chloro-pyrimidin-2-yl-κN)pyri-dine-κN](2,2':6',2''-terpyridine-κN,N',N'')ruthenium(II) bis-(hexa-fluoridophosphate) acetonitrile disolvate.

Project description:In the title compound, [Ru(C(13)H(7)Cl(2)N(5))(C(15)H(11)N(3))](PF(6))(2)·2CH(3)CN, the Ru(II) atom is coordinated in a distorted octa-hedral geometry by a tridentate 2,2':6',2''-terpyridine ligand and a tridentate 2,6-bis-(5-chloro-pyrimidin-2-yl)pyridine ligand. Least-squares mean-plane distortions of only 1.72 (2) and 2.91 (2)° of the pyrimidyl rings with respect to the central pyridine are observed for the bis-(pyrimid-yl)pyridine-based tridentate ligand, while the distal pyridyl rings of terpyridine twist by 13.43 (7) and 4.68 (9)° away from the central pyridine ring.

| S-EPMC2960288 | biostudies-literature

trans-Carbon-yl[dihydro-bis(1,2,4-triazol-1-yl-κN)borato]hydridobis(triphenyl-phosphine-κP)ruthenium(II) acetonitrile solvate.

Project description:In the crystal structure of the title compound, [Ru(C(4)H(6)BN(6))H(C(18)H(15)P)(2)(CO)]·C(2)H(3)N, discrete mononuclear complexes are found in which the Ru atom is coordinated by two triphenyl-phosphine (PPh(3)) ligands, one dihydro-bis(1,2,4-triazol-1-yl)borate ligand, one carbonyl ligand and one hydride atom within slightly distorted octa-hedra. The two P atoms of the PPh(3) ligands are trans positioned and the two N atoms of the chelating dihydro-bis(1,2,4-triazol-1-yl)borate ligand occupy cis positions.

| S-EPMC2960167 | biostudies-literature

Tris(phenanthroline-κN,N')cobalt(II) tetra-fluoridoborate acetonitrile solvate.

Project description:In the crystal structure of the title compound, [Co(C(12)H(8)N(2))(3)](BF(4))(2)·CH(3)CN, the mol-ecular packing involves dimers of distorted octahedrally coordinated cations which are held together by one π-π [centroid-centroid = 3.542 (4) Å] and two C-H⋯π inter-actions [2.573 (4) Å] resulting in a P4AE (Parallel Fourfold Aryl Embrace) motif. The anions are found in aryl boxes formed from the phenanthroline ligands.

| S-EPMC2959989 | biostudies-literature

(2,2'-Bipyridine-κN,N')chlorido[4'-(2,5-dimethoxy-phen-yl)-2,2':6',2''-terpyridine-κN,N',N'']ruthenium(II) hexa-fluorido-phosphate acetonitrile monosolvate.

Project description:In the title compound, [RuCl(C(10)H(8)N(2))(C(23)H(19)N(3)O(2))]PF(6)·CH(3)CN, the ligand environment about the Ru(II) atom is distorted octa-hedral, with the substituted terpyridyl ligand coordinated in a meridional fashion, the bipyridyl ligand coordinated in a cis fashion and the Cl atom trans to one of the bipyridyl N atoms. The Ru-N distances are in the range 2.036 (2)-2.084 (2) Å with the exception of the central Ru-N bond from the terpyridyl ligand, which is shorter [1.9503 (19) Å], as expected. The pendant dimethoxy-phenyl substituent is not coplanar with the terpyridyl unit; the dihedral angle between the central pyridyl ring and the benzene ring is 46.72 (11)°. The anion is disordered equally over two positions around an F-P-F bond axis.

| S-EPMC2969997 | biostudies-literature

cis-cis-trans-Bis(acetonitrile-κN)dichloridobis(triphenyl-phosphine-κP)ruthenium(II) acetonitrile disolvate.

Project description:The title compound, [RuCl(2)(C(2)H(3)N)(2)(C(18)H(15)P)(2)]·2C(2)H(3)N, was obtained upon stirring an acetonitrile/ethanol solution of [RuCl(2)(PPh(3))(3)]. In the crystal structure, each Ru(II) ion is coordinated by two Cl [Ru-Cl = 2.4308 (7) and 2.4139 (7) Å], two N [Ru-N = 2.016 (2) and 2.003 (2) Å], and two P [Ru-P = 2.3688 (7) and 2.3887 (7) Å] atoms in a distorted octa-hedral geometry. Packing inter-actions include typical C-H⋯π contacts involving phenyl groups as well as weak hydrogen bonds between CH(3)CN methyl H atoms and Cl or solvent CH(3)CN N atoms.

| S-EPMC2915117 | biostudies-literature

(Meth-oxy-methyl-idene)di-methyl-aza-nium tetra-phenyl-borate aceto-nitrile monosolvate.

Project description:In the cation of the title salt, C4H10NO(+)·C24H20B(-)·C2H3N, the C-N bond lengths are 1.2864 (16), 1.4651 (17) and 1.4686 (16) Å, indicating double- and single-bond character, respectively. The C-O bond length of 1.2978 (15) Å shows double-bond character, pointing towards charge delocalization within the NCO plane of the iminium ion. C-H⋯π inter-actions are present between the methine H atom and two of the phenyl rings of the tetra-phenyl-borate ion. The latter forms an aromatic pocket in which the cation is embedded. The iminium ion is further connected through a C-H⋯N hydrogen bond to the aceto-nitrile mol-ecule. This leads to the formation of a two-dimensional supramolecular pattern along the bc plane.

| S-EPMC3998454 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data