Information card for entry 8107627

Structure parameters

• Formula: C18 H20 F4 N6 O4
• Calculated formula: C18 H20 F4 N6 O4
• Title of publication: Crystal structure of bis(3,5-dimethyl-1H-pyrazol-4-ammonium) tetrafluoroterephthate, 2[C5H10N3][C8F4O4]
• Authors of publication: Fujisawa, Kiyoshi; Harakuni, Seigo; Ageishi, Keigo; Tiekink, Edward R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 1017 - 1020
• a: 6.149 ± 0.0002 Å
• b: 11.0063 ± 0.0003 Å
• c: 14.0214 ± 0.0003 Å
• α: 90°
• β: 94.386 ± 0.005°
• γ: 90°
• Cell volume: 946.16 ± 0.05 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No