Information card for entry 7101950

Structure parameters

• Formula: C12 H20 B8 Co2
• Calculated formula: C12 H20 B8 Co2
• SMILES: [Co]12345678([CH]9%10%11[CH]%12%131[Co]1%14%15%16%17%18%11([BH]%11%19%10[BH]%1029[BH]294[BH]43%12[BH]3%13%14[BH]%121%19[BH]%11%102[BH]943%12)[cH]1[cH]%15[cH]%16[cH]%17[cH]%181)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Symmetric and asymmetric 13-vertex bimetallacarboranes by polyhedral expansion.
• Authors of publication: Lopez, Maria Elena; Edie, Michael J; Ellis, David; Horneber, Anke; Macgregor, Stuart A; Rosair, Georgina M; Welch, Alan J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 22
• Pages of publication: 2243 - 2245
• a: 6.7132 ± 0.0006 Å
• b: 12.1272 ± 0.001 Å
• c: 18.2031 ± 0.0015 Å
• α: 90°
• β: 90.153 ± 0.004°
• γ: 90°
• Cell volume: 1482 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No