Information card for entry 4083597

Structure parameters

• Formula: C58 H50 Cl3 F6 P4 Rh
• Calculated formula: C58 H50 Cl3 F6 P4 Rh
• Title of publication: Allenylphosphonium Complexes of Rhodium and Iridium
• Authors of publication: Cade, Ian A.; Colebatch, Annie L.; Hill, Anthony F.; Willis, Anthony C.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 12
• Pages of publication: 3198
• a: 13.5373 ± 0.0002 Å
• b: 24.4796 ± 0.0003 Å
• c: 17.3378 ± 0.0002 Å
• α: 90°
• β: 100.45 ± 0.0007°
• γ: 90°
• Cell volume: 5650.24 ± 0.13 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections: 0.1066
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No