Information card for entry 4069847

Structure parameters

• Formula: C39 H43 Cl F6 O2 P2 Ru Si
• Calculated formula: C39 H43 Cl F6 O2 P2 Ru Si
• SMILES: [Ru]1234567(Cl)([CH]([P+](c8ccccc8)(c8ccccc8)c8ccccc8)=[C]81[C]2(=[CH]3[Si](C)(C)C)c1ccccc1C8(O)C)[cH]1[cH]7[cH]6[cH]5[cH]41.[P](F)(F)(F)(F)(F)[F-].OC
• 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: 15.4806 ± 0.0002 Å
• b: 10.1987 ± 0.0001 Å
• c: 25.1873 ± 0.0003 Å
• α: 90°
• β: 98.707 ± 0.001°
• γ: 90°
• Cell volume: 3930.79 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 8
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No