Information card for entry 4300226

Structure parameters

• Chemical name: Ammonium Pentafluorosulfanylnitramide
• Formula: F5 H4 N3 O2 S
• Calculated formula: F5 H4 N3 O2 S
• SMILES: FS(F)(F)([N-]N(=O)=O)(F)F.[NH4+]
• Title of publication: Pentafluorosulfanylnitramide Salts
• Authors of publication: Michael E. Sitzmann; Richard Gilardi; Ray J. Butcher; William M. Koppes; Alfred G. Stern; Joseph S. Thrasher; Nirupam J. Trivedi; Zhen-Yu Yang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 843 - 850
• a: 5.3534 ± 0.0004 Å
• b: 5.5989 ± 0.0004 Å
• c: 10.5851 ± 0.0009 Å
• α: 90°
• β: 101.055 ± 0.009°
• γ: 90°
• Cell volume: 311.38 ± 0.04 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No