Information card for entry 4134904

Structure parameters

• Formula: C37 H38 Cl F6 N6 O3 P Ru
• Calculated formula: C37 H38 Cl F6 N6 O3 P 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: 8.7791 ± 0.0003 Å
• b: 11.6967 ± 0.0004 Å
• c: 18.8185 ± 0.0006 Å
• α: 82.514 ± 0.003°
• β: 79.563 ± 0.002°
• γ: 81.077 ± 0.002°
• Cell volume: 1867.02 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No