Information card for entry 4518094

Structure parameters

• Formula: C36 H40 F6 Mn N4 O8 S2
• Calculated formula: C36 H40 F6 Mn N4 O8 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: 15.2678 ± 0.0016 Å
• b: 15.2678 ± 0.0016 Å
• c: 17.167 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4001.7 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.1302
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No