Information card for entry 7025749

Structure parameters

• Formula: C13 H23 B10 Co
• Calculated formula: C13 H23 B10 Co
• SMILES: [C]123([BH]456[Co]789%10%11%12%132([BH]2%141[BH]1%1534[BH]34%14[BH]%1482[BH]289[BH]957[BH]561[BH]1%153[C]295([BH]4%1481)C)[c]12[c]%13([cH]%12[cH]%11[cH]%101)cccc2)C
• 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: 10.1626 ± 0.001 Å
• b: 10.2041 ± 0.0009 Å
• c: 16.7251 ± 0.0011 Å
• α: 90°
• β: 102.048 ± 0.004°
• γ: 90°
• Cell volume: 1696.2 ± 0.3 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: 0.0733
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No