Information card for entry 7025751

Structure parameters

• Formula: C13 H23 B10 Co
• Calculated formula: C13 H23 B10 Co
• SMILES: [Co]123456789([C]%10%11([C]%121([BH]1%133[BH]3%14%12[BH]%12%15%11[BH]%112%10[BH]2%104[BH]4%12%11[BH]%113%15[BH]3%13%14[BH]512[BH]%104%113)C)C)[c]12cccc[c]92[cH]8[cH]7[cH]61
• 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: 13.4744 ± 0.0011 Å
• b: 14.6459 ± 0.0013 Å
• c: 17.2983 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3413.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No