Information card for entry 7708744

Structure parameters

• Formula: C87 H86 N12 O22 Zn3
• Calculated formula: C87 H86 N12 O22 Zn3
• Title of publication: Two mesoporous anionic metal-organic frameworks for selective and efficient adsorption of cationic organic dye
• Authors of publication: Gao, Yu; Li, Yuzhu; Liang, Chen; Cen, Peipei; Xi, Jing; Guo, Yan; Song, Weiming; Liu, Xiangyu
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 14.0258 ± 0.0007 Å
• b: 23.605 ± 0.0012 Å
• c: 25.9645 ± 0.0013 Å
• α: 97.984 ± 0.002°
• β: 95.386 ± 0.003°
• γ: 97.759 ± 0.002°
• Cell volume: 8379.3 ± 0.7 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1989
• Weighted residual factors for all reflections included in the refinement: 0.2141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No