Information card for entry 7008473

Structure parameters

• Formula: C15 H30 B10 Ru
• Calculated formula: C15 H30 B10 Ru
• SMILES: [Ru]123456789%10([C]%11%12%13[C]%141([BH]1%153[BH]3%16%14[BH]%14%17%12[BH]%122%11[BH]2%114[BH]451[BH]1%15%16[BH]53%17[BH]%14%122[BH]%11415)CCC%13)[c]1([cH]%10[cH]9[c]8([cH]7[cH]61)C)C(C)C
• Title of publication: The synthesis and characterisation of 4,1,2-MC2B10 metallacarboranes.
• Authors of publication: McIntosh, Ruaraidh; Ellis, David; Gil-Lostes, Javier; Dalby, Kelly J.; Rosair, Georgina M.; Welch, Alan J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 10
• Pages of publication: 1842 - 1846
• a: 8.2728 ± 0.0017 Å
• b: 14.678 ± 0.003 Å
• c: 15.693 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1905.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0207
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No