Information card for entry 4084913

Structure parameters

• Formula: C61.87 H55.81 B Br0.08 Cl2.04 F4 O3.85 P3 Ru
• Calculated formula: C61.868 H55.812 B Br0.076 Cl2.04 F4 O3.848 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: 11.7606 ± 0.0006 Å
• b: 15.4442 ± 0.0007 Å
• c: 17.4519 ± 0.0008 Å
• α: 94.638 ± 0.004°
• β: 92.883 ± 0.004°
• γ: 103.829 ± 0.004°
• Cell volume: 3059.9 ± 0.3 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No