Information card for entry 7106915

Structure parameters

• Formula: C42 H52 F12 Mn N4 O9 P2
• Calculated formula: C42 H52 F12 Mn N4 O9 P2
• Title of publication: A Mn(III)-superoxo complex of a zwitterionic calix[4]arene with an unprecedented linear end-on Mn(III)-O2 arrangement and good catalytic performance for alkene epoxidation
• Authors of publication: Lei-Lei Liu; Hong-Xi Li; Li-Min Wan; Zhi-Gang Ren; Hui-Fang Wang; Jian-Ping Lang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11146
• a: 14.59 ± 0.002 Å
• b: 14.59 ± 0.002 Å
• c: 13.553 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2885 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 107
• Hermann-Mauguin space group symbol: I 4 m m
• Hall space group symbol: I 4 -2
• Residual factor for all reflections: 0.1376
• Residual factor for significantly intense reflections: 0.1331
• Weighted residual factors for significantly intense reflections: 0.3268
• Weighted residual factors for all reflections included in the refinement: 0.3309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No