Information card for entry 7232309

Structure parameters

• Formula: C90 H92 Co5 N10 O28
• Calculated formula: C90 H92 Co5 N10 O28
• Title of publication: Co(ii)-cluster-based metal‒organic frameworks as efficient heterogeneous catalysts for selective oxidation of arylalkanes
• Authors of publication: Fan, Yanru; Li, Xiao; Gao, Kuan; Liu, Yu; Meng, Xiangru; Wu, Jie; Hou, Hongwei
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 10
• Pages of publication: 1666
• a: 14.7342 ± 0.0005 Å
• b: 12.3434 ± 0.0004 Å
• c: 25.1181 ± 0.0009 Å
• α: 90°
• β: 103.275 ± 0.001°
• γ: 90°
• Cell volume: 4446.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0538
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No