Information card for entry 4518092

Structure parameters

• Formula: C42 H52 F6 Mn N4 O6 S2
• Calculated formula: C42 H52 F6 Mn N4 O6 S2
• Title of publication: Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes
• Authors of publication: Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 11857 - 11863
• a: 10.8133 ± 0.0011 Å
• b: 18.3449 ± 0.0019 Å
• c: 22.899 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4542.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.1211
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.2218
• Weighted residual factors for all reflections included in the refinement: 0.2484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No