Information card for entry 4511983

Structure parameters

• Formula: C59 H60 F3 O4 P4 Rh S
• Calculated formula: C59 H60 F3 O4 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: 12.7463 ± 0.0005 Å
• b: 15.5086 ± 0.0007 Å
• c: 13.5727 ± 0.0006 Å
• α: 90°
• β: 109.429 ± 0.001°
• γ: 90°
• Cell volume: 2530.23 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0396
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No