Information card for entry 4063775

Structure parameters

• Formula: C38 H64 Cl2 O4 P6 Ru2
• Calculated formula: C38 H64 Cl2 O4 P6 Ru2
• SMILES: C[P](C)(C)[Ru]([P](C)(C)C)([P](C)(C)C)(C#[O])(/C=C/c1c2c(ccc1)C(=O)c1c(/C=C/[Ru]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)(C#[O])Cl)cccc1C2=O)Cl
• Title of publication: Synthesis, Characterization, and Electrochemical Properties of Diruthenium Complexes Bridged by Anthraquinones
• Authors of publication: Li, Fei; Cheng, Jie; Chai, Xiaohong; Jin, Shan; Wu, Xianghua; Yu, Guang-Ao; Liu, Sheng Hua; Chen, George Z.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 1830
• a: 11.6537 ± 0.0014 Å
• b: 13.304 ± 0.0015 Å
• c: 19.243 ± 0.0017 Å
• α: 90°
• β: 112.846 ± 0.005°
• γ: 90°
• Cell volume: 2749.4 ± 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: 0.0704
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No