Information card for entry 4321352

Structure parameters

• Formula: C4 H12 F N O4 Os
• Calculated formula: C4 H12 F N O4 Os
• SMILES: C[N+](C)(C)C.F[Os](=O)(=O)(=O)=O
• Title of publication: The OsO4F-, OsO4F22-, and OsO3F3- Anions, Their Study by Vibrational and NMR Spectroscopy and Density Functional Theory Calculations, and the X-ray Crystal Structures of [N(CH3)4][OsO4F] and [N(CH3)4][OsO3F3]
• Authors of publication: Michael Gerken; David A. Dixon; Gary J. Schrobilgen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4244 - 4255
• a: 7.0174 ± 0.0014 Å
• b: 11.401 ± 0.002 Å
• c: 10.925 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 874.1 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 39
• Hermann-Mauguin space group symbol: A e m 2
• Hall space group symbol: A 2 -2b
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for all reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.0748
• Goodness-of-fit parameter for all reflections: 1.135
• Goodness-of-fit parameter for significantly intense reflections: 1.156
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No