Information card for entry 4335157

Structure parameters

• Formula: C4 H12 N O4 Re
• Calculated formula: C4 H12 N O4 Re
• Title of publication: Synthesis and Lewis Acid Properties of (ReO3F)∞and the X-ray Crystal Structures of (HF)2ReO3F.HF and [N(CH3)4]2-[{ReO3(μ-F)}3(μ3-O)].CH3CN
• Authors of publication: Maria V. Ivanova; Tobias Köchner; Hélène P. A. Mercier; Gary J. Schrobilgen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6806 - 6819
• a: 5.7206 ± 0.0002 Å
• b: 12.474 ± 0.0003 Å
• c: 13.1586 ± 0.0004 Å
• α: 90°
• β: 115.773 ± 0.001°
• γ: 90°
• Cell volume: 845.58 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No