Information card for entry 7049365

Structure parameters

• Formula: C49 H59 Mn O2 P2 S3 Si3
• Calculated formula: C49 H59 Mn O2 P2 S3 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: 12.7101 ± 0.0005 Å
• b: 26.1516 ± 0.0012 Å
• c: 15.7091 ± 0.0007 Å
• α: 90°
• β: 92.9222 ± 0.0011°
• γ: 90°
• Cell volume: 5214.7 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No