Information card for entry 7129829

Structure parameters

• Formula: C32 H42 Mn2 N18 O4
• Calculated formula: C32 H42 Mn2 N18 O4
• Title of publication: An end-on bis(μ-hydroxido) dimanganese(II,III) azide complex for C-H bond and O-H bond activation reactions.
• Authors of publication: Jeon, Hyeri; Kim, Jisoo; Kim, Jin; Cho, Kyung-Bin; Hong, Seungwoo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 29
• Pages of publication: 4623 - 4626
• a: 10.8912 ± 0.0011 Å
• b: 10.4204 ± 0.0011 Å
• c: 16.9841 ± 0.0017 Å
• α: 90°
• β: 99.8018 ± 0.0013°
• γ: 90°
• Cell volume: 1899.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0558
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No