Information card for entry 7033939

Structure parameters

• Formula: C14 H35 B19 Ru
• Calculated formula: C14 H35 B19 Ru
• SMILES: [Ru]123456789([C]%10%11%12([CH]%13%141[BH]1%15%12[BH]%12%16%11[BH]%112%10[BH]2%104[BH]43%13[BH]3%14%15[BH]%131%16[BH]%12%112[BH]%1043%13)[C]1234[CH]%10%11%12[BH]%13%141[BH]1%152[BH]2%163[BH]34%10[BH]4%10%16[BH]%16%152[BH]2%141[BH]1%11%13[BH]%1234[BH]%10%1621)[c]1([cH]9[cH]8[c]7([cH]6[cH]51)C)C(C)C
• 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: 11.5653 ± 0.0007 Å
• b: 14.1222 ± 0.0009 Å
• c: 15.1116 ± 0.001 Å
• α: 90°
• β: 91.611 ± 0.004°
• γ: 90°
• Cell volume: 2467.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No