Information card for entry 4084917

Structure parameters

• Formula: C67 H88 B Cl O P3 Rh
• Calculated formula: C67 H88 B Cl O P3 Rh
• 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: 11.6846 ± 0.0004 Å
• b: 12.6788 ± 0.0004 Å
• c: 21.6243 ± 0.0008 Å
• α: 99.684 ± 0.003°
• β: 90.372 ± 0.003°
• γ: 106.822 ± 0.003°
• Cell volume: 3017.62 ± 0.19 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: 0.065
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No