Information card for entry 7025747

Structure parameters

• Formula: C12 H21 B10 Cl2 Co
• Calculated formula: C12 H21 B10 Cl2 Co
• SMILES: [Co]123456789([CH]%10%11[BH]%12%131[BH]1%14%15%11[BH]%112%10[BH]2%104[BH]41%11[BH]1%11%15[BH]%15%13%14[BH]%133%12[CH]352[BH]1%15%13[BH]%104%113)[c]12cccc[c]92[cH]8[cH]7[cH]61.C(Cl)Cl
• Title of publication: Supraicosahedral indenyl cobaltacarboranes.
• Authors of publication: Scott, Greig; McAnaw, Amelia; McKay, David; Boyd, Alan S. F.; Ellis, David; Rosair, Georgina M.; Macgregor, Stuart A.; Welch, Alan J.; Laschi, Franco; Rossi, Fulvio; Zanello, Piero
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 22
• Pages of publication: 5286 - 5300
• a: 11.4396 ± 0.0005 Å
• b: 8.7217 ± 0.0003 Å
• c: 19.2249 ± 0.0009 Å
• α: 90°
• β: 107.299 ± 0.002°
• γ: 90°
• Cell volume: 1831.36 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No