Information card for entry 2022990

Structure parameters

• Chemical name: Pyrrolidinoformamidinium hexafluorophosphate
• Formula: C5 H11 F6 N2 P
• Calculated formula: C5 H11 F6 N2 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: 12.3588 ± 0.0003 Å
• b: 12.7942 ± 0.0003 Å
• c: 12.2759 ± 0.0003 Å
• α: 90°
• β: 105.4 ± 0.001°
• γ: 90°
• Cell volume: 1871.38 ± 0.08 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes