Information card for entry 7709047

Structure parameters

• Formula: C52 H30 In3 N4 O18
• Calculated formula: C52 H30 In3 N4 O18
• Title of publication: pH-dependent formation of three porous In(III)-MOFs: framework diversity and selective gas adsorption
• Authors of publication: Zhang, Chengcheng; Qin, Yuanyuan; Duan, Lijuan; Wang, Lu; Wu, Yuewei; Guo, Yan; Song, Weiming; Liu, Xiangyu
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 15.2038 ± 0.0002 Å
• b: 22.6496 ± 0.0003 Å
• c: 22.0902 ± 0.0003 Å
• α: 90°
• β: 108.945 ± 0.0016°
• γ: 90°
• Cell volume: 7194.93 ± 0.18 ų
• Cell temperature: 156 ± 10 K
• Ambient diffraction temperature: 156 ± 10 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No