Information card for entry 7008472

Structure parameters

• Formula: C10 H21 B10 Co
• Calculated formula: C10 H21 B10 Co
• SMILES: [Co]123456789([C]%10%11%12[C]%131([BH]1%143[BH]3%15%13[BH]%13%16%11[BH]%112%10[BH]2%104[BH]4%13%11[BH]%113%16[BH]3%14%15[BH]512[BH]%104%113)CCC%12)[cH]1[cH]9[cH]8[cH]7[cH]61
• 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: 7.1253 ± 0.0019 Å
• b: 8.692 ± 0.002 Å
• c: 12.824 ± 0.004 Å
• α: 87.336 ± 0.014°
• β: 87.729 ± 0.016°
• γ: 67.391 ± 0.014°
• Cell volume: 732.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1025
• 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