Information card for entry 7033942

Structure parameters

• Formula: C9 H26 B19 Co
• Calculated formula: C9 H26 B19 Co
• SMILES: [CH]1234[Co]56789%10%11([BH]%12%131[BH]1%142[BH]2%153[BH]345[BH]45%15[BH]%15%142[C]2%131([BH]16%12[BH]734[BH]5%1521)[C]1234[CH]567[BH]%12%131[BH]1%142[BH]2%153[BH]345[BH]45%15[BH]%15%142[BH]2%131[BH]16%12[BH]734[BH]5%1521)[cH]1[cH]8[cH]9[cH]%10[cH]%111
• Title of publication: Icosahedral metallacarborane/carborane species derived from 1,1'-bis(o-carborane).
• Authors of publication: Thiripuranathar, Gobika; Man, Wing Y.; Palmero, Cesar; Chan, Antony P. Y.; Leube, Bernhard T.; Ellis, David; McKay, David; Macgregor, Stuart A.; Jourdan, Laure; Rosair, Georgina M.; Welch, Alan J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5628 - 5637
• a: 12.6472 ± 0.0006 Å
• b: 6.6422 ± 0.0003 Å
• c: 23.8175 ± 0.001 Å
• α: 90°
• β: 95.642 ± 0.002°
• γ: 90°
• Cell volume: 1991.1 ± 0.16 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0404
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No