Information card for entry 7062502

Structure parameters

• Formula: C34 H22.5 Cu2 N4 O8.25
• Calculated formula: C34 H22 Cu2 N4 O8
• Title of publication: A 3D paddle-wheel type Cu(ii)-based MOF with pcu topology as an efficient photocatalyst for antibiotics photodegradation
• Authors of publication: Yan, Mei-Hua; Wang, Jun; Su, Xiao-Yong; Sakiyama, Hiroshi; Qi, Na; Afzal, Mohd; Alarifi, Abdullah; Srivastava, Devyani; Kumar, Abhinav
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 23
• Pages of publication: 11134 - 11142
• a: 10.9001 ± 0.0008 Å
• b: 10.8846 ± 0.0008 Å
• c: 13.6953 ± 0.001 Å
• α: 90°
• β: 108.552 ± 0.001°
• γ: 90°
• Cell volume: 1540.4 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0332
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No