Information card for entry 1505059

Structure parameters

• Formula: Cl H4 N O
• Calculated formula: Cl H4 N O
• SMILES: [Cl-].O[NH3+]
• Title of publication: Are halide...halide contacts a feature of rock-salts only?
• Authors of publication: Nelyubina, Yulia V.; Antipin, Mikhail Yu; Lyssenko, Konstantin A.
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2007
• Journal volume: 111
• Journal issue: 6
• Pages of publication: 1091 - 1095
• a: 6.8955 ± 0.0005 Å
• b: 5.9218 ± 0.0005 Å
• c: 7.2123 ± 0.0005 Å
• α: 90°
• β: 114.141 ± 0.005°
• γ: 90°
• Cell volume: 268.75 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.024
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No