Information card for entry 7060778

Structure parameters

• Formula: C11 H13 Fe N O7
• Calculated formula: C8 H4 Fe O6
• Title of publication: Synthesis of a stable iron(iii)‒organic framework for a visible light induced simultaneous photocatalytic reduction of Cr(vi) and the degradation of organic dyes in water
• Authors of publication: Xie, A-Di; Hu, Ming-Gai; Luo, Yu-Hui; Zhu, Xiang-Gui; Wang, Zhi-Hui; Geng, Wu-Yue; Zhang, Hao; Zhang, Dong-En; Zhang, Hong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 30
• Pages of publication: 13406 - 13414
• a: 15.1494 ± 0.0001 Å
• b: 15.1494 ± 0.0001 Å
• c: 12.0558 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2766.86 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 98
• Hermann-Mauguin space group symbol: I 41 2 2
• Hall space group symbol: I 4bw 2bw
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No