Information card for entry 4134046

Structure parameters

• Formula: C33 H39 F12 N5 O3 P2 Ru
• Calculated formula: C33 H37.2 F12 N5 O3 P2 Ru
• Title of publication: Unexpected Roles of Triethanolamine in the Photochemical Reduction of CO2 to Formate by Ruthenium Complexes.
• Authors of publication: Sampaio, Renato N.; Grills, David C.; Polyansky, Dmitry E.; Szalda, David J.; Fujita, Etsuko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 10.1169 ± 0.0007 Å
• b: 10.8235 ± 0.0007 Å
• c: 19.72 ± 0.0013 Å
• α: 96.808 ± 0.004°
• β: 98.601 ± 0.004°
• γ: 101.702 ± 0.003°
• Cell volume: 2065.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No