Information card for entry 4511985

Structure parameters

• Chemical name: Rh(PNMeP)(OTf)2
• Formula: C55 H54 F3 N2 O3 P4 Rh S
• Calculated formula: C55 H54 F3 N2 O3 P4 Rh S
• Title of publication: The Influence of the Second and Outer Coordination Spheres on Rh(diphosphine)2 CO2 Hydrogenation Catalysts
• Authors of publication: Bays, John Timothy; Priyadarshani, Nilusha; Jeletic, Matthew S.; Hulley, Elliot B.; Miller, Deanna L.; Linehan, John C.; Shaw, Wendy J.
• Journal of publication: ACS Catalysis
• Year of publication: 2014
• Pages of publication: 140903144432009
• a: 11.1175 ± 0.001 Å
• b: 13.2349 ± 0.0011 Å
• c: 18.044 ± 0.0016 Å
• α: 93.743 ± 0.004°
• β: 95.848 ± 0.005°
• γ: 109.218 ± 0.004°
• Cell volume: 2480.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0643
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No