Information card for entry 4069092

Structure parameters

• Formula: C30 H61 Cl2 N O4 P6 Ru2
• Calculated formula: C30 H61 Cl2 N O4 P6 Ru2
• SMILES: [Ru](C#[O])(Cl)(/C=C/c1cc(c(cc1)/C=C/[Ru](C#[O])(Cl)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C)N(=O)=O)([P](C)(C)C)([P](C)(C)C)[P](C)(C)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: 9.9338 ± 0.0005 Å
• b: 35.9326 ± 0.0017 Å
• c: 13.3665 ± 0.0012 Å
• α: 90°
• β: 111.814 ± 0.001°
• γ: 90°
• Cell volume: 4429.5 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• 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: 0.0754
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No