Information card for entry 4105494

Structure parameters

• Formula: C47 H47 F6 O1.5 P2 Ru
• Calculated formula: C47 H47 F6 O1.5 P2 Ru
• SMILES: [Ru]1234567([P](c8ccccc8)(c8ccccc8)c8ccccc8)([CH2]=[C]81C(OCC=C)C(C[C]28=[CH2]3)(c1ccccc1)c1ccccc1)[cH]1[cH]7[cH]6[cH]5[cH]41.[P](F)(F)(F)(F)(F)[F-].O(CC)CC
• Title of publication: Reactions of Ruthenium Cp Phosphine Complex with 4,4-Disubstituted-1,6-Enynes: Effect of Methyl Substituents in the Olefinic Fraction
• Authors of publication: Chia-Pei Chung; Chien-Chih Chen; Ying-Chih Lin; Yi-Hong Liu; Yu Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 18366 - 18375
• a: 13.9207 ± 0.0003 Å
• b: 13.9477 ± 0.0004 Å
• c: 22.7647 ± 0.0007 Å
• α: 85.489 ± 0.002°
• β: 75.201 ± 0.002°
• γ: 82.549 ± 0.002°
• Cell volume: 4232.5 ± 0.2 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: 0.1066
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No