Information card for entry 7120575

Structure parameters

• Formula: C40 H42 F6 N5 O3 P Ru
• Calculated formula: C40 H42 F6 N5 O3 P Ru
• Title of publication: Strategic design of a ruthenium catalyst for both CO2 reduction and H2O oxidation: the electronic influence of the co-ligands
• Authors of publication: Das, Biswanath; Ezzedinloo, Lida; Bhadbhade, Mohan; Bucknall, Martin; Colbran, Stephen Boyd
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 20.1625 ± 0.0009 Å
• b: 9.8756 ± 0.0005 Å
• c: 20.9277 ± 0.0011 Å
• α: 90°
• β: 109.407 ± 0.002°
• γ: 90°
• Cell volume: 3930.3 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 149.99 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: 0.0577
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No