Information card for entry 4324196

Structure parameters

• Formula: C14 H34 B18 Co O S4
• Calculated formula: C14 H34 B18 Co O S4
• SMILES: [Co]12345678([CH]9%10%11[CH]%12%131[BH]1%14%11[BH]%11%15%10[BH]%1039[B]395(O)[BH]54%12[BH]4%13%14[BH]%121%15[BH]%11%103[BH]954%12)[CH]134[CH]592[BH]2%104[BH]4%113[BH]361[BH]168[BH]875[BH]59%10[BH]72%11[BH]431[BH]6857.S1C(=C(SC1=C1SC(=C(S1)C)C)C)C
• Title of publication: Molecular Conductors with a 8-Hydroxy cobalt Bis(dicarbollide) Anion
• Authors of publication: Olga N. Kazheva; Grigorii G. Alexandrov; Andrey V. Kravchenko; Irina D. Kosenko; Irina A. Lobanova; Igor B. Sivaev; Oleg A. Filippov; Elena S. Shubina; Vladimir I. Bregadze; Vladimir A. Starodub; Lev V. Titov; Lev I. Buravov; Oleg A. Dyachenko
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 444 - 450
• a: 6.9897 ± 0.0005 Å
• b: 9.8046 ± 0.0006 Å
• c: 11.3083 ± 0.0007 Å
• α: 71.833 ± 0.001°
• β: 84.732 ± 0.001°
• γ: 76.728 ± 0.001°
• Cell volume: 716.5 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No