Information card for entry 4321984

Structure parameters

• Chemical name: mu-fluorohexafluorotetraoxodirhenate dioxotrifluororhenium adduct
• Formula: F13 K O8 Re2
• Calculated formula: F13 K O8 Re2
• SMILES: F[Re]([F][Re](F)(F)(F)(=O)=O)(F)(F)(=O)=O.[F-].[F-].[F-].[K+].O.O.[F-].[F-].[F-].O.O
• Title of publication: Lewis Acid Behavior of ReO2F3: Synthesis of (ReO2F3)∞, ReO2F4-, Re2O4F7-, Re3O6F10-, and ReO2F3(CH3CN) and Study by NMR Spectroscopy, Raman Spectroscopy, and Density Functional Theory Calculations; and X-ray Structures of [Li][ReO2F4], [K][Re2O4F7], [K][Re2O4F7].2ReO2F3, [Cs][Re3O6F10], and ReO3F(CH3CN)2.CH3CN
• Authors of publication: William J. Casteel; David A. Dixon; Nicolas LeBlond; Philippa E. Lock; Hélène P. A. Mercier; Gary J. Schrobilgen
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2340 - 2358
• a: 27.319 ± 0.024 Å
• b: 5.274 ± 0.005 Å
• c: 5.355 ± 0.003 Å
• α: 90°
• β: 99.53 ± 0.04°
• γ: 90°
• Cell volume: 760.9 ± 1.1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for all reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.0603
• Goodness-of-fit parameter for all reflections: 1.162
• Goodness-of-fit parameter for significantly intense reflections: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No