Information card for entry 7228630

Structure parameters

• Formula: C58 H48 N4 O25 Zn5
• Calculated formula: C58 H48 N4 O25 Zn5
• Title of publication: Luminescent sensing and photocatalytic degradation properties of an uncommon (4,5,5)-connected 3D MOF based on 3,5-di(3′, 5′-dicarboxylphenyl)benzoic acid: an experimental and computational study
• Authors of publication: Liu, Jian-Qiang; Kumar, Abhinav; SINGH, AMITA; Jin, Jun-Cheng; Deng, Fang-Yuan; Wu, Xiren; Luo, Zhidong
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 29.018 ± 0.003 Å
• b: 15.7877 ± 0.0017 Å
• c: 19.16 ± 0.002 Å
• α: 90°
• β: 107.517 ± 0.001°
• γ: 90°
• Cell volume: 8370.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1435
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2316
• Weighted residual factors for all reflections included in the refinement: 0.2574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.445
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No