Information card for entry 4063774

Structure parameters

• Formula: C39 H68 Cl4 O5 P6 Ru2
• Calculated formula: C39 H68 Cl4 O5 P6 Ru2
• SMILES: C[P](C)(C)[Ru](C#[O])(/C=C/c1ccc(c2c1C(=O)c1c(C2=O)cccc1)/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.C(Cl)Cl.O
• 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: 17.893 ± 0.0009 Å
• b: 17.5966 ± 0.0008 Å
• c: 18.3564 ± 0.0009 Å
• α: 90°
• β: 109.04 ± 0.01°
• γ: 90°
• Cell volume: 5463.4 ± 0.6 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: 0.0855
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No