Information card for entry 4084912

Structure parameters

• Formula: C96 H80 B Cl2 O4 P3 Ru
• Calculated formula: C95.997 H79.994 B Cl1.994 O4 P3 Ru
• Title of publication: Synthesis of Phosphonium-Substituted Vinylidene Complexes from [HC\τb CCH2PPh3]+: Exploring the Competition between Allene and Vinylidene Formation.
• Authors of publication: Smith, Elizabeth J.; Pridmore, Natalie E.; Whitwood, Adrian C.; Lynam, Jason M.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 24
• Pages of publication: 7260
• a: 12.5833 ± 0.0004 Å
• b: 13.1462 ± 0.0004 Å
• c: 25.7463 ± 0.0009 Å
• α: 100.054 ± 0.003°
• β: 92.041 ± 0.003°
• γ: 110.548 ± 0.003°
• Cell volume: 3905.1 ± 0.2 ų
• Cell temperature: 110 ± 0.14 K
• Ambient diffraction temperature: 110 ± 0.14 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No