Information card for entry 4134045

Structure parameters

• Formula: C36 H48 F12 N6 O5 P2 Ru
• Calculated formula: C36 H48 F12 N6 O5 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: 10.2665 ± 0.0004 Å
• b: 15.0186 ± 0.0005 Å
• c: 15.1586 ± 0.0006 Å
• α: 106.802 ± 0.002°
• β: 98.455 ± 0.002°
• γ: 94.384 ± 0.002°
• Cell volume: 2195.65 ± 0.15 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: 0.1058
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No