Information card for entry 4069093

Structure parameters

• Formula: C32 H66 Cl2 O2 P6 Ru2
• Calculated formula: C32 H66 Cl2 O2 P6 Ru2
• SMILES: c1(/C=C/[Ru]([P](C)(C)C)(C#[O])([P](C)(C)C)([P](C)(C)C)Cl)cc(c(cc1C)/C=C/[Ru]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)(C#[O])Cl)C
• Title of publication: Synthesis, Characterization, and Substituent Effects of Binuclear Ruthenium Vinyl Complexes [RuCl(CO)(PMe3)3]2(μ-CHCH−Ar−CHCH)
• Authors of publication: Wu, Xiang Hua; Jin, Shan; Liang, Jin Hua; Li, Zi Yong; Yu, Guang-ao; Liu, Sheng Hua
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 2450
• a: 9.4873 ± 0.0005 Å
• b: 11.1223 ± 0.0006 Å
• c: 21.9002 ± 0.0011 Å
• α: 90°
• β: 97.095 ± 0.001°
• γ: 90°
• Cell volume: 2293.2 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0615
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No