Information card for entry 4070124

Structure parameters

• Formula: C60 H50 Br0.5 Cl2 F3 O2 P3.5 Ru
• Calculated formula: C60 H50 Br0.5 Cl2 F3 O2 P3.5 Ru
• Title of publication: Reactions of [Ru(CO)2(PPh3)3] with Alkynylphosphonium Salts: A Phosphinoallene Complex
• Authors of publication: Ang, Wee Han; Cordiner, Richard L.; Hill, Anthony F.; Perry, Tamara L.; Wagler, Jörg
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 18
• Pages of publication: 5568
• a: 16.4415 ± 0.0003 Å
• b: 12.2233 ± 0.0003 Å
• c: 27.9952 ± 0.0006 Å
• α: 90°
• β: 107.063 ± 0.001°
• γ: 90°
• Cell volume: 5378.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No