Information card for entry 7709603

Structure parameters

• Formula: C64 H60 I2 N16 O12 Zn3
• Calculated formula: C59 H46 I2 N14 O9 Zn3
• Title of publication: Three novel MOFs constructed from 1,3,5-Tris(1-imidazolyl)benzene and dicarboxylate ligands and the selective adsorption for C2H2/C2H4 and C2H6/CH4
• Authors of publication: Yang, Ming-Xing; Chen, Lijuan; Gao, Jing; Gao, Yang; Yu, Guangtao; Lin, Shen
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.671 ± 0.0018 Å
• b: 15.111 ± 0.002 Å
• c: 20.142 ± 0.003 Å
• α: 88.674 ± 0.004°
• β: 75.755 ± 0.003°
• γ: 79.393 ± 0.005°
• Cell volume: 3383.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No