Information card for entry 7111928

Structure parameters

• Formula: C108 H36 N8 O94 Zn22
• Calculated formula: C108 H36 N8 O93.92 Zn22
• Title of publication: Zn-BTC MOFs with active metal sites synthesized via a structure-directing approach for highly efficient carbon conversion
• Authors of publication: Xianqiang Huang; Yifa Chen; Zhengguo Lin; Xiaoqian Ren; Yuna Song; Zhenzhu Xu; Xinmei Dong; Xingguo Li; Changwen Hu; Bo Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2624
• a: 20.4666 ± 0.0008 Å
• b: 20.4666 ± 0.0008 Å
• c: 20.4666 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8573.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2615
• Weighted residual factors for all reflections included in the refinement: 0.2818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No