Information card for entry 7049366

Structure parameters

• Formula: C69 H71 Mn N P3 S4 Si3
• Calculated formula: C69 H71 Mn N P3 S4 Si3
• Title of publication: A Mn(iv)-peroxo complex in the reactions with proton donors.
• Authors of publication: Lee, Chien-Ming; Sankaralingam, Muniyandi; Chuo, Chi-He; Tseng, Tzu-Hsien; Chen, Peter P.-Y.; Chiang, Ming-Hsi; Li, Xiao-Xi; Lee, Yong-Min; Nam, Wonwoo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 16
• Pages of publication: 5203 - 5213
• a: 14.0964 ± 0.0002 Å
• b: 27.5253 ± 0.0004 Å
• c: 17.3067 ± 0.0002 Å
• α: 90°
• β: 99.8295 ± 0.0006°
• γ: 90°
• Cell volume: 6616.55 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No