Information card for entry 4323060

Structure parameters

• Formula: C24 H33 B9 Ru S2
• Calculated formula: C24 H33 B9 Ru S2
• SMILES: [Ru]123456789([C]%10%11(Sc%12ccccc%12)[BH]%12%132[BH]2%14%10[BH]%10%15%11[C]%111(Sc1ccccc1)[BH]1%163[BH]34%12[BH]4%132[BH]2%14%10[BH]%15%111[BH]%16342)[c]1([cH]5[cH]6[c]7([cH]8[cH]91)C(C)C)C
• Title of publication: Metalation of a Bis(thiophenyl)carborane Giving Both Exo and Endo Products. Synthesis and Structural Characterization of RuCl{7,8-(SPh)2-7,8-nido-C2B9H10}(p-cymene) and 1,2-(SPh)2-3-(p-cymene)-3,1,2-RuC2B9H9
• Authors of publication: Francesc Teixidor; Clara Viñas; Miguel A. Flores; Georgina M. Rosair; Alan J. Welch; Andrew S. Weller
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5394 - 5395
• a: 11.066 ± 0.0006 Å
• b: 14.5054 ± 0.0008 Å
• c: 17.608 ± 0.002 Å
• α: 90°
• β: 99.765 ± 0.006°
• γ: 90°
• Cell volume: 2785.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for all reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.0689
• Goodness-of-fit parameter for all reflections: 1.054
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No