Information card for entry 4087058

Structure parameters

• Chemical name: Chloro (((N-methyl)phenylimidoyl)diphenylphosphanyl)(pentamethyl- cyclopentadienyl) Rhodium(III) trifluoromethylsulfonate
• Formula: C31 H33 Cl F3 N O3 P Rh S
• Calculated formula: C31 H33 Cl F3 N O3 P Rh S
• Title of publication: Iminophosphanes: Synthesis, Rhodium Complexes, and Ruthenium(II)-Catalyzed Hydration of Nitriles.
• Authors of publication: Rong, Mark K.; van Duin, Koen; van Dijk, Tom; de Pater, Jeroen J. M.; Deelman, Berth-Jan; Nieger, Martin; Ehlers, A. W.; Slootweg, J. Chris; Lammertsma, Koop
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 5
• Pages of publication: 1079 - 1090
• a: 14.4195 ± 0.0003 Å
• b: 14.5992 ± 0.0003 Å
• c: 15.1828 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3196.18 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 9
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No