Information card for entry 4065204

Structure parameters

• Formula: C38 H66 Cl2 O2 P6 Ru2
• Calculated formula: C38 H66 Cl2 O2 P6 Ru2
• SMILES: [Ru](C#[O])(/C=C/c1c2ccccc2c(c2ccccc12)/C=C/[Ru](C#[O])(Cl)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C)(Cl)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C
• Title of publication: Synthesis, Characterization, and Properties of Anthracene-Bridged Bimetallic Ruthenium Vinyl Complexes [RuCl(CO)(PMe3)3]2(μ-CH═CH-anthracene-CH═CH)
• Authors of publication: Ou, Ya-Ping; Jiang, Chuanyin; Wu, Di; Xia, Jianlong; Yin, Jun; Jin, Shan; Yu, Guang-Ao; Liu, Sheng Hua
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5763
• a: 17.5343 ± 0.0011 Å
• b: 13.9458 ± 0.0009 Å
• c: 21.0762 ± 0.0013 Å
• α: 90°
• β: 109.059 ± 0.001°
• γ: 90°
• Cell volume: 4871.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1315
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No