Information card for entry 4084866

Structure parameters

• Formula: C36 H37 O6 P Ru2
• Calculated formula: C36 H37 O6 P Ru2
• SMILES: [Ru]12([Ru]34([C]5(=[C]63C(=CC=CC146)C=C5c1c(cc(C)cc1C)C)[P]2(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Indenyl Ruthenium Complexes with an Unusual η3Coordination Mode
• Authors of publication: Yuan, Jia; Han, Zhi-Jun; Peng, Hui; Pi, Yun-Xiao; Chen, You; Liu, Sheng-Hua; Yu, Guang-Ao
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 24
• Pages of publication: 7325
• a: 10.2797 ± 0.0005 Å
• b: 11.2244 ± 0.0005 Å
• c: 16.2963 ± 0.0008 Å
• α: 90.863 ± 0.001°
• β: 96.9 ± 0.001°
• γ: 115.468 ± 0.001°
• Cell volume: 1680.63 ± 0.14 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No