Information card for entry 4518093

Structure parameters

• Formula: C53 H76 Cl2 F6 Mn N4 O9 S2
• Calculated formula: C53 H76 Cl2 F6 Mn N4 O9 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: 18.048 ± 0.008 Å
• b: 18.048 ± 0.008 Å
• c: 18.684 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6086 ± 5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No