Information card for entry 4323061

Structure parameters

• Formula: C24 H34 B9 Cl Ru S2
• Calculated formula: C24 H34 B9 Cl Ru S2
• SMILES: [Ru]123456([S]([C]789[C]%10%11([S]1c1ccccc1)[BH]1%128[BH]8%13%14[BH]%15%16%17[BH]718[BH]79%16[BH]1%17([H]7)[BH]7%14%15[BH]%10%12%13[BH]%1117)c1ccccc1)(Cl)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)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: 10.8789 ± 0.0013 Å
• b: 11.1088 ± 0.0013 Å
• c: 14.161 ± 0.002 Å
• α: 76.983 ± 0.01°
• β: 81.395 ± 0.01°
• γ: 62.303 ± 0.009°
• Cell volume: 1474.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections: 0.7344
• Weighted residual factors for significantly intense reflections: 0.1249
• Goodness-of-fit parameter for all reflections: 1.081
• Goodness-of-fit parameter for significantly intense reflections: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No