Information card for entry 7232184

Structure parameters

• Common name: MIL53(In)_NO2
• Formula: C8 In N O9
• Calculated formula: C8 In N O9
• 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: 18.629 ± 0.0009 Å
• b: 7.3019 ± 0.0004 Å
• c: 11.4527 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1557.88 ± 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: 0.0444
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No