Information card for entry 4084914

Structure parameters

• Formula: C66 H57 B Br Cl4 F4 O2 P3 Ru
• Calculated formula: C65.9991 H56.9982 B1.0004 Br Cl3.9982 F4.0016 O2 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: 11.8805 ± 0.0003 Å
• b: 13.4688 ± 0.0003 Å
• c: 20.1628 ± 0.0005 Å
• α: 95.303 ± 0.002°
• β: 104.015 ± 0.002°
• γ: 97.399 ± 0.002°
• Cell volume: 3078.54 ± 0.13 ų
• Cell temperature: 110.05 ± 0.1 K
• Ambient diffraction temperature: 110.05 ± 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: 0.0797
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No