Information card for entry 7062855

Structure parameters

• Formula: C84 H60 Fe4 In2 N6 O38
• Calculated formula: C84 H48 Fe4.0002 In1.9998 N4 O32
• Title of publication: Photocatalytic activation of peroxodisulfate using iron-containing MOFs synthesized by single-crystal-to-single-crystal transformation for ofloxacin degradation
• Authors of publication: Zhang, Hao; Chen, Feng-Yu; Liu, Zhi-Yong; Luo, Yu-Hui; Zhou, Zi-Lin; Jia, Xue-Meng; Wang, Xin; Yang, Yun-Qiong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 45
• Pages of publication: 21081 - 21090
• a: 31.104 ± 0.005 Å
• b: 16.117 ± 0.002 Å
• c: 41.896 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21003 ± 6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1668
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No