Information card for entry 4519084

Structure parameters

• Formula: C18 H21 Cu2 N11 O5
• Calculated formula: C18 H21 Cu2 N11 O5
• Title of publication: A Hydrolytically Stable Cu(II)-Based Metal-Organic Framework with Easily Accessible Ligands for Water Harvesting.
• Authors of publication: Wang, Lu; Wang, Kecheng; An, Hao-Tian; Huang, Hongliang; Xie, Lin-Hua; Li, Jian-Rong
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 41
• Pages of publication: 49509 - 49518
• a: 15.7354 ± 0.0003 Å
• b: 15.7354 ± 0.0003 Å
• c: 22.597 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5595.1 ± 0.2 ų
• Cell temperature: 265.94 ± 0.12 K
• Ambient diffraction temperature: 265.94 ± 0.12 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No