Information card for entry 4128258

Structure parameters

• Formula: C22 H23 Br F6 Mn N4 O3 P
• Calculated formula: C22 H23 Br F6 Mn N4 O3 P
• SMILES: Br[Mn]1([n]2c(cccc2c2[n]1c(ccc2)Cn1cc[n+](c1)C(C)(C)C)C)(C#[O])(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
• 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: 7.1504 ± 0.0006 Å
• b: 13.4353 ± 0.0011 Å
• c: 27.972 ± 0.002 Å
• α: 80.848 ± 0.004°
• β: 87.913 ± 0.004°
• γ: 83.603 ± 0.004°
• Cell volume: 2636 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1243
• Residual factor for significantly intense reflections: 0.1186
• Weighted residual factors for significantly intense reflections: 0.3174
• Weighted residual factors for all reflections included in the refinement: 0.335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.474
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No