Information card for entry 4067250

Structure parameters

• Formula: C65 H63 F6 P2 Ru Sb
• Calculated formula: C65 H63 F6 P2 Ru Sb
• SMILES: [Ru]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)(=C=C5C=CCC5(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[cH]3[cH]45.[Sb](F)(F)(F)(F)(F)[F-].CCCCCC
• Title of publication: Cyclization Accompanied with 1,2-Phenyl Migration in the Protonation of Ruthenium Acetylide Complex Containing an Allenyl Group
• Authors of publication: Chen, Kuo-Hao; Feng, Yi Jhen; Ma, Hao-Wei; Lin, Ying-Chih; Liu, Yi-Hong; Kuo, Ting-Shen
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 24
• Pages of publication: 6829
• a: 16.7233 ± 0.0007 Å
• b: 19.1664 ± 0.0007 Å
• c: 33.6405 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10782.6 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1535
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 0.775
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No