Information card for entry 4128411

Structure parameters

• Formula: C12 H17 F9 N6 O7
• Calculated formula: C12 H17 F9 N6 O7
• Title of publication: Supercooling Behavior and Dipole-Glass-like Relaxation in a Three-Dimensional Water Framework.
• Authors of publication: Huang, Rui-Kang; Wang, Sha-Sha; Liu, De-Xuan; Li, Xin; Song, Jian-Ming; Xia, Yuan-Hua; Zhou, Dong-Dong; Huang, Jin; Zhang, Wei-Xiong; Chen, Xiao-Ming
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 14
• Pages of publication: 5645 - 5649
• a: 12.283 ± 0.003 Å
• b: 7.782 ± 0.0016 Å
• c: 20.867 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1994.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P c n b
• Hall space group symbol: -P 2b 2ac
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.6525 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No