Information card for entry 1542544

Structure parameters

• Formula: C12 H17 F9 N6 O7
• Calculated formula: C12 H17 F9 N6 O7
• Title of publication: High-symmetry hydrogen-bonded organic frameworks: air separation and crystal-to-crystal structural transformation.
• Authors of publication: Zhou, Dong-Dong; Xu, Yan-Tong; Lin, Rui-Biao; Mo, Zong-Wen; Zhang, Wei-Xiong; Zhang, Jie-Peng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 28
• Pages of publication: 4991 - 4994
• a: 12.335 ± 0.004 Å
• b: 21.047 ± 0.008 Å
• c: 7.89 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2048.4 ± 1.3 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No