Information card for entry 4134906

Structure parameters

• Formula: C36 H28 F12 N6 O P2 Ru
• Calculated formula: C36 H28 F12 N6 O P2 Ru
• Title of publication: Kinetics of the <i>Trans</i> Effect in Ruthenium Complexes Provide Insight into the Factors That Control Activity and Stability in CO₂ Electroreduction.
• Authors of publication: Gonell, Sergio; Assaf, Eric A.; Duffee, Kyle D.; Schauer, Cynthia K.; Miller, Alexander J. M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 11.039 ± 0.0002 Å
• b: 24.302 ± 0.0005 Å
• c: 13.6393 ± 0.0003 Å
• α: 90°
• β: 98.537 ± 0.001°
• γ: 90°
• Cell volume: 3618.47 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No