Information card for entry 4519071

Structure parameters

• Formula: C31 H23 Cu2 N3 O13 P2
• Calculated formula: C31 H23 Cu2 N3 O13 P2
• Title of publication: Synthesis, Structures, and Sorption Properties of Two New Metal-Organic Frameworks Constructed by the Polycarboxylate Ligand Derived from Cyclotriphosphazene.
• Authors of publication: Han, Jing-Hua; Hu, Bing-Qian; Li, Tangming; Liang, Hao; Yu, Fan; Zhao, Qiang; Li, Bao
• Journal of publication: ACS omega
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 36
• Pages of publication: 23110 - 23116
• a: 18.3668 ± 0.0011 Å
• b: 18.3668 ± 0.0011 Å
• c: 49.803 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14549.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.1819
• Residual factor for significantly intense reflections: 0.1062
• Weighted residual factors for significantly intense reflections: 0.2921
• Weighted residual factors for all reflections included in the refinement: 0.3301
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No