Information card for entry 7101920

Structure parameters

• Formula: C19 H25 B10 Co
• Calculated formula: C19 H25 B10 Co
• SMILES: [Co]123456789([C]%10%11([BH]%12%131[BH]1%14%15%11[BH]%112%10[BH]2%104[BH]41%11[BH]1%11%15[BH]%15%13%14[BH]%133%12[BH]352[C]1%15%13([BH]%104%113)c1ccccc1)c1ccccc1)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: Unexpectedly facile isomerisation of [7,10-Ph2-7,10-nido-C2B10H10]2- to [7,9-Ph2-7,9-nido-C2B10H10]2-.
• Authors of publication: Zlatogorsky, Sergey; Ellis, David; Rosair, Georgina M; Welch, Alan J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 21
• Pages of publication: 2178 - 2180
• a: 12.0447 ± 0.0008 Å
• b: 12.6676 ± 0.0008 Å
• c: 13.8241 ± 0.0008 Å
• α: 90°
• β: 104.129 ± 0.004°
• γ: 90°
• Cell volume: 2045.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1208
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No