Information card for entry 4300228

Structure parameters

• Chemical name: Guanidinium Pentafluorosulfanylnitramide
• Formula: C H6 F5 N5 O2 S
• Calculated formula: C H6 F5 N5 O2 S
• SMILES: S(F)(F)(F)(F)(F)[N-]N(=O)=O.C(=[NH2+])(N)N
• 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: 5.3674 ± 0.0003 Å
• b: 12.6148 ± 0.0009 Å
• c: 12.5444 ± 0.0012 Å
• α: 90°
• β: 93.926 ± 0.009°
• γ: 90°
• Cell volume: 847.37 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0573
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No