Information card for entry 4110928

Structure parameters

• Formula: Cl H7 N2 O2
• Calculated formula: Cl H7 N2 O2
• SMILES: [Cl-].O[NH3+].O=[NH3]
• Title of publication: Hydroxylamine as an Oxygen Nucleophile. Structure and Reactivity of Ammonia Oxide
• Authors of publication: Anthony J. Kirby; John E. Davies; Tiago A. S. Brandão; Pedro F. da Silva; Willian R. Rocha; Faruk Nome
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 12374 - 12375
• a: 7.2167 ± 0.0001 Å
• b: 8.1338 ± 0.0002 Å
• c: 7.0381 ± 0.0002 Å
• α: 90°
• β: 92.345 ± 0.001°
• γ: 90°
• Cell volume: 412.785 ± 0.017 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No