Information card for entry 4069848

Structure parameters

• Formula: C63 H58 O P2 Ru Si
• Calculated formula: C63 H58 O P2 Ru Si
• SMILES: [Ru]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)(C#CC(O)C(CC#C[Si](C)(C)C)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Ruthenium Allenylidene and Allylcarbene Complexes from 1,6-Diyne
• Authors of publication: Lui, Ming-Chung; Chung, Chia-Pei; Chang, Wei-Chen; Lin, Ying-Chih; Wang, Yu; Liu, Yi-Hong
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 5204
• a: 10.2984 ± 0.0005 Å
• b: 13.2748 ± 0.0004 Å
• c: 19.8929 ± 0.0006 Å
• α: 94.076 ± 0.002°
• β: 96.325 ± 0.003°
• γ: 107.292 ± 0.003°
• Cell volume: 2565.33 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1183
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.798
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No