Information card for entry 7025750

Structure parameters

• Formula: C18 H31 B10 Co O
• Calculated formula: C18 H31 B10 Co O
• SMILES: [C]1234[C]56(CCC3)[Co]3789%10%11%122([BH]2%131[BH]1%144[BH]4%15%13[BH]%1372[BH]278[BH]853[BH]361[BH]1%144[BH]283[BH]%15%1371)[c]12[c]%12([cH]%11[cH]%10[cH]91)cccc2.O1CCCC1
• 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: 8.7797 ± 0.0012 Å
• b: 23.658 ± 0.003 Å
• c: 10.2905 ± 0.0014 Å
• α: 90°
• β: 104.09 ± 0.007°
• γ: 90°
• Cell volume: 2073.1 ± 0.5 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: 0.0556
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No