Information card for entry 7060290

Structure parameters

• Formula: C13 H9 Cu N2 O4
• Calculated formula: C13 H9 Cu N2 O4
• Title of publication: A series of porous 3D inorganic‒organic hybrid framework crystalline materials based on 5-aminoisophthalic acid for photocatalytic degradation of crystal violet
• Authors of publication: Xin, Yu; Zhou, Jun; Xing, Yong Heng; Bai, Feng Ying; Sun, Li Xian
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 3432 - 3440
• a: 12.5486 ± 0.0014 Å
• b: 7.6374 ± 0.0009 Å
• c: 16.0778 ± 0.0018 Å
• α: 90°
• β: 109.037 ± 0.002°
• γ: 90°
• Cell volume: 1456.6 ± 0.3 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No