Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of a second polymorph of 2-cyclo-penta-dienyl-1,7-dicarba-2-cobalta-closo-dodeca-borane(11).

ABSTRACT: A new polymorph of the title compound 2-(η-C5H5)-2,1,7-closo-CoC2B9H11, [Co(C5H5)(C2H11B9)], in the space group P21/n has been characterized, including the unambiguous location of both cage C atoms. The precision of this study is an order of magnitude greater than that of the first polymorph [C2/c; Lopez et al. (2010). Collect. Czech. Chem. Commun. 75, 853-869].

SUBMITTER: Man WY

PROVIDER: S-EPMC4518921 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Crystal structure of 1,1'-bis[1,7-dicarba-closo-dodeca-borane(11)].

Project description:In the title compound, C4H22B20, the two {1,7-closo-C2B10H11} cages are linked across a centre of inversion, with C-C = 1.5401?(16)?Å. The position of the second non-linking cage C atom was established unambiguously by geometric and crystallographic methods and there is no evidence of C/B disorder.

| S-EPMC4257294 | biostudies-literature

[1,2-Bis(diisopropyl-phosphino)-1,2-dicarba-closo-dodeca-borane-κP,P']dichloridomercury(II).

Project description:In the title complex, [HgCl(2)(C(14)H(38)B(10)P(2))], the Hg(II) atom is in a distorted HgCl(2)P(2) tetra-hedral coordination environment. The chelation of the Hg atom by two P atoms and two C atoms from the carborane skeleton results in a nearly planar five-membered ring.

| S-EPMC2915082 | biostudies-literature

Definitive crystal structure of 1,1'-bis-[1,2-dicarba-closo-dodeca-borane(11)].

Project description:In the title compound, C4H22B20, the two {1,2-closo-C2B10H11} cages are linked across a centre of inversion with a C-C distance of 1.5339?(11)?Å. By careful analysis of the structure, it is established that the non-linking cage C atom is equally disordered over cage vertices 2 and 3.

| S-EPMC4257441 | biostudies-other

Di-?-thio-cyanato-bis-{[1,2-bis-(diiso-propyl-phosphan-yl)-1,2-dicarba-closo-dodeca-borane]silver(I)}.

Project description:The title compound, [Ag(2)(NCS)(2)(C(14)H(38)B(10)P(2))(2)], was synthesized by the reaction of 1,2-bis-(diiso-propyl-phos-phan-yl)-1,2-dicarba-closo-dodeca-borane with AgSCN. The diisopropyl-phosphanyl-closo-carborane ligand is coordinated in a bidentate manner to the Ag(I) atom through the two P atoms. The coordination of the Ag(I) atom is distorted tetra-hedral, in which two vertices are formed by the P atoms of the chelating diphosphine ligand, and the other two are occupied by the S and N atoms of the two bridging thio-cyanate anions, leading to a centrosymmetric binuclear complex. The distance between the two C atoms in the carborane skeleton is 1.851?(6)?Å.

| S-EPMC3050408 | biostudies-literature

(1,2-Dicarba-closo-dodeca-boran-yl)trimethyl-methanaminium iodide.

Project description:The title compound, [1-(CH(3))(3)NCH(2)-1,2-C(2)B(10)H(11)](+)·I(-) or C(6)H(22)B(10)N(+)·I(-), was obtained by the reaction of (1,2-dicarba-closo-dodeca-boran-yl)dimethyl-methanamine with methyl iodide. The asymmetric unit contains two iodide anions and two (o-carboran-yl)tetra-methyl-ammonium cations. The bond lengths and angles in the carborane cage are within normal ranges, but the N-C(methyl-ene)-C(cage) angle is very large [120.2?(2)°] because of repulsion between the carborane and tetra-methyl-ammonium units. In the crystal, ions are linked through C-H?I hydrogen bonds.

| S-EPMC3213586 | biostudies-literature

9-Ethynyl-1,2-dimethyl-1,2-dicarba-closo-dodeca-borane (1,2-Me(2)-9-HC C-closo-1,2-C(2)B(10)H(9)).

Project description:The asymmetric unit of the title compound, C(6)H(16)B(10), contains one mol-ecule that is close to possessing a non-crystallographic plane of mirror symmetry in the space group Pna2(1). The orientation of the mol-ecules in the ortho-rhom-bic cell shows that the structure can not be described in the space group Pnma, which has the same systematic absence conditions. The long inner-cluster C-C distance of 1.510?(5)?Å is typical for {1,2-Me(2)-closo-1,2-C(2)B(10)} derivatives.

| S-EPMC3006814 | biostudies-other

Bis(8-methyl-2,8-dicarba-closo-dodeca-boran-2-yl) tris-elenide.

Project description:In the title compound, C(6)H(26)B(20)Se(3), the geometry around the central Se atom is V-shaped, with the Se-Se-Se angle being 105.60?(4)°. The Se-Se bond lengths are consistent with single covalent bonds.

| S-EPMC3212301 | biostudies-literature

[1,2-Bis(di-cyclo-hexyl-phosphan-yl)-1,2-dicarba-closo-dodeca-borane-2κ(2) P,P']di-μ-chlorido-1:2κ(4) Cl:Cl-di-chlorido-1κ(2) Cl-dimercury(II).

Project description:The title compound, [Hg2Cl4(C26H54B10P2)], was synthesized by the reaction of 1,2-bis-(di-cyclo-hexyl-phosphan-yl)-1,2-dicarba-closo-dodeca-borane with HgCl2. Both Hg(II) atoms show a distorted tetra-hedral coordination geometry, provided by the two bridging chloride anions and the P atoms of the diphosphanyl ligand for one metal atom, and by two bridging and two terminal chloride anions for the other. The five-membered HgP2C2 chelate ring assumes an envelope conformation, with the Hg(II) atom displaced by 0.1650 (5) Å from the mean plane of the other four atoms (r.m.s. deviation = 0.002 Å). In the crystal, B-H⋯Cl interactions link the molecules, forming a supramolecular chain along the a-axis direction.

| S-EPMC3998597 | biostudies-literature

[1,2-Bis(diphenyl-phosphino)-1,2-dicarba-closo-dodeca-borane-κP,P'][7,8-bis-(di-phenyl-phosphino)-7,8-dicarba-nido-undeca-borato-κP,P']gold(I)-dichloro-methane-water (2/1/1).

Project description:The title compound, [Au(C(26)H(30)B(10)P(2))(C(26)H(30)B(9)P(2))]·0.5CH(2)Cl(2)·0.5H(2)O, contains two independent complex mol-ecules in the asymmetric unit. The gold(I) centres display a distorted tetra-hedral geometry. The complex is stablized through weak intra-molecular π-π stacking (Cg⋯Cg = 4.17 Å) and edge-to-face inter-actions (H⋯Cg = 3.21 Å). Adjacent mol-ecules inter-act through C-H⋯π (H⋯Cg = 2.88 Å) and B-H⋯π (H⋯Cg = 3.15 Å) contacts, forming a three-dimensional network, with solvent mol-ecules occupying the cavities. One of the phenyl groups was disordered over two sites with occupancy factors of 0.65 and 0.35.

| S-EPMC2977637 | biostudies-literature

1,7-Dimethyl-penta-cyclo-[5.4.0.0.0.0]undecane-8,11-dione.

Project description:The structure of the title compound, C(13)H(14)O(2), a penta-cyclo-undecane cage derivative, exhibits unusual Csp(3)-Csp(3) single-bond lengths ranging from 1.505?(3) to 1.607?(2)?Å and strained bond angles as small as 88.7?(1)° and as large as 121.0?(2)°. In this meso compound, an inter-nal non-crystallographic mirror plane exists, bis-ecting the mol-ecule. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into an infinite spiral about a twofold screw axis along the [100] direction.

| S-EPMC3007444 | 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