Information card for entry 7128867

Structure parameters

• Formula: C110 H80 K2 Mn6 N6 O26
• Calculated formula: C110 H80 K2 Mn6 N6 O26
• Title of publication: Manganese-promoted cleavage of acetylacetonate resembling the β-diketone cleaving dioxygenase (Dke1) reactivity.
• Authors of publication: Yang, Chao; Liu, Dingqi; Wang, Tongshuai; Sun, Fuxing; Qiu, Shilun; Wu, Gang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 74
• Pages of publication: 9462 - 9465
• a: 14.139 ± 0.003 Å
• b: 22.693 ± 0.005 Å
• c: 16.025 ± 0.003 Å
• α: 90°
• β: 95.846 ± 0.007°
• γ: 90°
• Cell volume: 5115 ± 1.8 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• 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: 0.1079
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.2356
• Weighted residual factors for all reflections included in the refinement: 0.2589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No