Information card for entry 7118003

Structure parameters

• Formula: C50 H44 B2 Cd F8 N12 O2
• Calculated formula: C50 H44 B2 Cd F8 N12 O2
• Title of publication: Fabrication of Cd(II)-MOF-based ternary photocatalytic composite materials for H2 production via a gel-to-crystal approach
• Authors of publication: Chao-Wei Zhao; Yan-An Li; Xue-Ru Wang; Gong-Jun Chen; Qi-Kui Liu; Jian-Ping Ma; Yu-Bin Dong
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 15906
• a: 15.9333 ± 0.0006 Å
• b: 15.9333 ± 0.0006 Å
• c: 21.1312 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5364.6 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1158
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.2324
• Weighted residual factors for all reflections included in the refinement: 0.2559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No