Information card for entry 4517317

Structure parameters

• Formula: C42 H22 Cl0 Fe3 N0 O16
• Calculated formula: C42 H22 Fe3 O16
• Title of publication: The mimic of ferroalloy to develop a bifunctional Fe-organic framework platform for enhanced gas sorption and efficient oxygen evolution electrocatalysis.
• Authors of publication: Xue, Yingying; Zhang, Jian-Wei; Li, Yongpeng; Li, Haipeng; Wang, Ying; Li, Shuni; Jiang, Yucheng; Hu, Mancheng; Zhai, Quanguo
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• a: 27.45 ± 0.0004 Å
• b: 27.45 ± 0.0004 Å
• c: 73.194 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 47762.9 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No