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

ABSTRACT: 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.

SUBMITTER: Man WY

PROVIDER: S-EPMC4257441 | biostudies-other | 2014 Dec

REPOSITORIES: biostudies-other

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

Man Wing Y WY Rosair Georgina M GM Welch Alan J AJ

Acta crystallographica. Section E, Structure reports online 20141105 Pt 12

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. ...[more]

PMID: 25552965

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

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-Bis(diisopropyl-phosphino)-1,2-dicarba-closo-dodeca-borane-?P,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-other

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

Project description: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].

| S-EPMC4518921 | biostudies-literature

Crystal structure of 1-hepta-fluoro-tolyl-closo-1,2-dicarbadodeca-borane.

Project description:The mol-ecular structure of the title compound 1-(2',3',5',6'-tetra-fluoro-4'-trifluoro-methyl-phen-yl)-closo-1,2-dicarbadodeca-borane, C9H11B10F7, features an intra-molecular ortho-F?H2 hydrogen bond [2.11?(2)?Å], which is responsible for an orientation of the hepta-fluoro-tolyl substituent in which the plane of the aryl ring nearly eclipses the C1-C2 cage connectivity.

| S-EPMC6509674 | biostudies-literature

Bis(μ-nitrato-κ(2) O:O)bis-{[1,2-bis-(diiso-propyl-phosphan-yl)-1,2-dicarba-closo-dodeca-borane-κ(2) P,P']silver(I)} di-chloro-methane disolvate.

Project description:The title compound, [Ag2(NO3)2(C14H38B10P2)2]·2CH2Cl2, was synthesized by the reaction of 1,2-bis-(diiso-propyl-phosphan-yl)-1,2-dicarba-closo-dodeca-borane with AgNO3. The resulting dinuclear molecule has crystallographically imposed inversion symmetry. The diiso-propyl-phosphanyl-closo-carborane ligand is coordin-ated in a bidentate manner to the Ag(I) atom through the two P atoms. The distorted tetra-hedral coordination of the metal is completed by two O atoms of two bridging nitrate anions. The separation between the two Ag(I) atoms is 3.8913 (5) Å. C-H⋯O hydrogen bonds are observed involving the dichloromethane solvent molecule and the nitrate anion.

| S-EPMC3998584 | 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

[1,2-Bis(diphenyl-phosphino)-1,2-dicarba-closo-dodeca-borane-?P,P'][7,8-bis-(di-phenyl-phosphino)-7,8-dicarba-nido-undeca-borato-?P,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 ?-? 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?? (H?Cg = 2.88?Å) and B-H?? (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

(1,2-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

[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

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