Information card for entry 7101922

Structure parameters

• Formula: C24 H34 B10 Ru
• Calculated formula: C24 H34 B10 Ru
• SMILES: [Ru]123456789%10([C]%11%12([BH]%13%141[BH]1%15%16%12[BH]%122%11[BH]2%114[BH]41%12[BH]1%12%16[BH]%16%14%15[BH]%143%13[BH]352[C]1%16%14([BH]%114%123)c1ccccc1)c1ccccc1)[c]1([cH]6[cH]7[c]8([cH]9[cH]%101)C)C(C)C
• 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: 21.144 ± 0.004 Å
• b: 13.209 ± 0.002 Å
• c: 18.065 ± 0.003 Å
• α: 90°
• β: 100.439 ± 0.008°
• γ: 90°
• Cell volume: 4961.6 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No