Information card for entry 4134905

Structure parameters

• Formula: C32 H31.35 Cl2 F12 N6 O P2 Ru
• Calculated formula: C32 H31.35 Cl2 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: 17.6809 ± 0.0003 Å
• b: 13.9926 ± 0.0002 Å
• c: 30.1337 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7455.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No