Information card for entry 7004880

Structure parameters

• Formula: C2 H0 F7 N O4 S2
• Calculated formula: C2 F7 N O4 S2
• SMILES: N(S(=O)(=O)C(F)(F)F)(S(=O)(=O)C(F)(F)F)F
• Title of publication: The molecular structure of N-fluorobis(trifluoromethanesulfonyl)imide, NF(SO(2)CF(3))(2), as studied in the gas phase by electron diffraction restrained by ab initio calculations.
• Authors of publication: Hnyk, Drahomír; Brain, Paul T.; Rankin, David W. H.; Robertson, Heather E.; Smart, Bruce A.; Banks, R. Eric; Murtagh, Vincent
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 2
• Pages of publication: 265 - 271
• a: 6.753 ± 0.002 Å
• b: 18.304 ± 0.006 Å
• c: 7.371 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 911.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.0794
• Goodness-of-fit parameter for significantly intense reflections: 1.1075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No