Information card for entry 7242918

Structure parameters

• Formula: C60 H36 Co4 F3 N15 O10 S
• Calculated formula: C60 H36 Co4 F3 N15 O10 S
• Title of publication: A highly stable metal‒organic framework with cubane-like clusters for the selective oxidation of aryl alkenes to aldehydes or ketones
• Authors of publication: Liu, Teng; Shen, Xianfu; Shen, Xiang; He, Chixian; Liu, Jiaming; Liu, Jian-Jun
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 26
• Pages of publication: 4667 - 4673
• a: 23.6033 ± 0.0008 Å
• b: 23.6033 ± 0.0008 Å
• c: 23.6033 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13149.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No