Information card for entry 7101921

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[C]41%12([BH]1%12%16[BH]%16%14%15[BH]%143%13[BH]352[BH]1%16%14[BH]%114%123)c1ccccc1)c1ccccc1)[c]1([cH]%10[cH]9[c]8([cH]7[cH]61)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: 9.3596 ± 0.0008 Å
• b: 8.767 ± 0.0009 Å
• c: 15.4785 ± 0.0015 Å
• α: 90°
• β: 96.803 ± 0.005°
• γ: 90°
• Cell volume: 1261.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No