Information card for entry 4069655

Structure parameters

• Formula: C60 H48 Cl2 F3 O5 P3 Ru S
• Calculated formula: C60 H48 Cl2 F3 O5 P3 Ru S
• Title of publication: Reactions of [Ru(CO)2(PPh3)3] with Alkynylphosphonium Salts: Phosphaallenylidene vs Phosphonioacetylide Coordination
• Authors of publication: Cordiner, Richard L.; Hill, Anthony F.; Wagler, Jörg
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 4880
• a: 10.0272 ± 0.0002 Å
• b: 14.6376 ± 0.0004 Å
• c: 19.3095 ± 0.0007 Å
• α: 86.374 ± 0.001°
• β: 78.064 ± 0.002°
• γ: 79.451 ± 0.002°
• Cell volume: 2725.05 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No