Information card for entry 4321353

Structure parameters

• Formula: C4 H12 F3 N O3 Os
• Calculated formula: C4 H12 F3 N O3 Os
• 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: 16.347 ± 0.004 Å
• b: 13.475 ± 0.003 Å
• c: 11.435 ± 0.003 Å
• α: 90°
• β: 134.128 ± 0.004°
• γ: 90°
• Cell volume: 1808 ± 0.8 ų
• Cell temperature: 156 ± 2 K
• Ambient diffraction temperature: 156 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections: 0.1508
• Weighted residual factors for significantly intense reflections: 0.1318
• Goodness-of-fit parameter for all reflections: 1.005
• Goodness-of-fit parameter for significantly intense reflections: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No