Information card for entry 7251201

Structure parameters

• Formula: C3 H2 F5 N O
• Calculated formula: C3 H2 F5 N O
• Title of publication: Hydrogen-bonded salt cocrystals of xenon difluoride and protonated perfluoroamides
• Authors of publication: Uran, Erik; Lozinšek, Matic
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 21.7871 ± 0.0005 Å
• b: 5.11704 ± 0.00012 Å
• c: 10.0754 ± 0.0003 Å
• α: 90°
• β: 98.14 ± 0.002°
• γ: 90°
• Cell volume: 1111.94 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No