Information card for entry 4073398

Structure parameters

• Formula: C24 H40 B10 P2 Ru
• Calculated formula: C24 H40 B10 P2 Ru
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ru]2345([C]1234[C]567(C)[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%178%11[BH]3%16([BH]32%15[BH]2%13%14[BH]59%12[BH]1632)[BH]47%10%17)([P](C)(C)c1ccccc1)[P](C)(C)c1ccccc1
• Title of publication: Reaction of Cyclopentadienyl Ruthenium Complexes with a Carborane Anion: Effect of the Spectator Ligands on the Substitution Site
• Authors of publication: Basato, Marino; Biffis, Andrea; Buscemi, Gabriella; Callegaro, Elena; Polo, Mauro; Tubaro, Cristina; Venzo, Alfonso; Vianini, Chiara; Graiff, Claudia; Tiripicchio, Antonio; Benetollo, Franco
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 17
• Pages of publication: 4265
• a: 14.519 ± 0.005 Å
• b: 13.791 ± 0.003 Å
• c: 14.581 ± 0.005 Å
• α: 90°
• β: 94.09 ± 0.05°
• γ: 90°
• Cell volume: 2912.1 ± 1.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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: 0.0277
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No