Information card for entry 4128260

Structure parameters

• Formula: C22 H23 Br F6 Mn N4 O3 P
• Calculated formula: C22 H23 Br F6 Mn N4 O3 P
• Title of publication: Synergistic Effects of Imidazolium-Functionalization on fac-Mn(CO)₃ Bipyridine Catalyst Platforms for Electrocatalytic Carbon Dioxide Reduction.
• Authors of publication: Sung, Siyoung; Li, Xiaohui; Wolf, Lucienna M.; Meeder, Jeremy R.; Bhuvanesh, Nattamai S.; Grice, Kyle A.; Panetier, Julien A.; Nippe, Michael
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 16
• Pages of publication: 6569 - 6582
• a: 7.937 ± 0.002 Å
• b: 12.188 ± 0.004 Å
• c: 26.58 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2571.2 ± 1.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No