Information card for entry 2022989

Structure parameters

• Chemical name: Morpholinoformamidinium hexafluorophosphate
• Formula: C5 H11 F6 N2 O P
• Calculated formula: C5 H11 F6 N2 O P
• Title of publication: Crystal structures of two formamidinium hexa-fluorido-phosphate salts, one with batch-dependent disorder.
• Authors of publication: Neary, Michelle C.; Corfield, Peter W. R.; Parkin, Sean R.; Saba, Shahrokh
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 1
• Pages of publication: 88 - 93
• a: 10.4504 ± 0.0014 Å
• b: 13.717 ± 0.0016 Å
• c: 13.4157 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1923.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes