Information card for entry 1516215

Structure parameters

• Formula: C3 Cl N
• Calculated formula: C3 Cl N
• Title of publication: Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water.
• Authors of publication: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2011
• Journal volume: 115
• Journal issue: 41
• Pages of publication: 11805 - 11815
• a: 6.2548 ± 0.00007 Å
• b: 6.2548 Å
• c: 7.39492 ± 0.00019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 289.308 ± 0.008 ų
• Number of distinct elements: 3
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• RFsqd: 0.14726
• Goodness-of-fit parameter for all reflections: 1.47
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: Kα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No