Information card for entry 4087057

Structure parameters

• Chemical name: ((N-methyl)phenylimidoyl)di(3-methylphenyl)phosphanyl)- (pentamethylcyclopentadienyl) Rhodium(III) dichloride
• Formula: C33 H39 Cl4 N P Rh
• Calculated formula: C33 H39 Cl4 N P Rh
• SMILES: [Rh]1234(Cl)(Cl)([P](C(=N\C)\c5ccccc5)(c5cc(ccc5)C)c5cc(ccc5)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.C(Cl)Cl
• 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: 8.9362 ± 0.0001 Å
• b: 23.6047 ± 0.0003 Å
• c: 16.091 ± 0.0002 Å
• α: 90°
• β: 104.98 ± 0.001°
• γ: 90°
• Cell volume: 3278.83 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.037
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No