Information card for entry 7061558

Structure parameters

• Formula: C52 H30 Cu3 N6 O13
• Calculated formula: C52 H30 Cu3 N6 O13
• Title of publication: A series of novel Cu-based MOFs: syntheses, structural diversity, catalytic properties and mimic peroxidase activity for colorimetric detection of H2O2
• Authors of publication: Chai, Juan; Yuan, Luohao; Wang, Shiwei; Li, Tong; Wu, Mingxue; Huang, Zhiwei; Yin, Hongfeng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 12372 - 12380
• a: 9.2608 ± 0.0003 Å
• b: 10.6337 ± 0.0004 Å
• c: 13.1879 ± 0.0005 Å
• α: 82.385 ± 0.001°
• β: 85.159 ± 0.001°
• γ: 70.816 ± 0.001°
• Cell volume: 1214.6 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 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: 0.0462
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No