Information card for entry 7020665

Structure parameters

• Formula: C17 H31 B10 Co Ru
• Calculated formula: C17 H31 B10 Co Ru
• SMILES: [Ru]123456789%10([CH]%11%12%13[BH]%14%151[BH]1%162[BH]2%173[BH]3%184[BH]45%11[BH]5%11%18[Co]%18%19%20%21%22%23%24%25([BH]%12%14([BH]%151%18[CH]%162%19[BH]%1735%20)[BH]%134%11%21)[cH]1[cH]%25[cH]%24[cH]%23[cH]%221)[c]1([cH]6[cH]7[c]8([cH]9[cH]%101)C)C(C)C
• Title of publication: The synthesis and characterisation of homo- and heterobimetallic 1,14,2,9- and 1,14,2,10-M2C2B10 14-vertex metallacarboranes.
• Authors of publication: McAnaw, Amelia; Lopez, Maria Elena; Ellis, David; Rosair, Georgina M.; Welch, Alan J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 671 - 679
• a: 8.1374 ± 0.0016 Å
• b: 9.1518 ± 0.0018 Å
• c: 14.462 ± 0.003 Å
• α: 77.9 ± 0.03°
• β: 87.61 ± 0.03°
• γ: 79.33 ± 0.03°
• Cell volume: 1034.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No