Information card for entry 4084865

Structure parameters

• Formula: C33 H31 O6 P Ru2
• Calculated formula: C33 H31 O6 P Ru2
• SMILES: [Ru]123([Ru]4([C]53=[C]31C(=CC=C5)C=C(c1ccccc1)C23[P]4(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: 10.3666 ± 0.0009 Å
• b: 11.013 ± 0.0009 Å
• c: 14.5762 ± 0.0012 Å
• α: 94.678 ± 0.001°
• β: 93.156 ± 0.001°
• γ: 110.295 ± 0.001°
• Cell volume: 1549.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No