Information card for entry 7232183

Structure parameters

• Common name: MIL53(In)_Br
• Formula: C8 Br In O5
• Calculated formula: C8 Br1.04 In O5
• Title of publication: New functionalized MIL-53(In) solids: syntheses, characterization, sorption, and structural flexibility
• Authors of publication: Wu, Lei; Chaplais, Gérald; Xue, Ming; Qiu, Shilun; Patarin, Joël; Simon-Masseron, Angélique; Chen, Huaxin
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 1918
• a: 17.4254 ± 0.0009 Å
• b: 7.2516 ± 0.0003 Å
• c: 13.3713 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1689.62 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No