Information card for entry 7039309

Structure parameters

• Formula: C25 H27 F6 Mn N5 O6 S2
• Calculated formula: C25 H27 F6 Mn N5 O6 S2
• SMILES: [Mn]1234(OS(=O)(=O)C(F)(F)F)[n]5c(cccc5)C[N]4(Cc4[n]1cccc4)C[C@H]1[N]2(CCC1)Cc1[n]3cccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis, characterization, and reactivity of a side-on manganese(iii)-peroxo complex bearing a pentadentate aminopyridine ligand.
• Authors of publication: Du, Junyi; Xu, Daqian; Zhang, Chunxi; Xia, Chungu; Wang, Yong; Sun, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10131 - 10135
• a: 9.1669 ± 0.0016 Å
• b: 14.119 ± 0.002 Å
• c: 24.261 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3140 ± 0.9 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: 0.0578
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.2052
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No