Information card for entry 4304709

Structure parameters

• Formula: C10 B F5 N4 Xe
• Calculated formula: C10 B F5 N4 Xe
• SMILES: [Xe]c1c(F)c(F)c(F)c(c1F)F.[B-](C#N)(C#N)(C#N)C#N
• Title of publication: [C6F5Xe]+ and [C6F5XeNCCH3]+ Salts of the Weakly Coordinating Borate Anions, [BY4]- (Y = CN, CF3, or C6F5)
• Authors of publication: Karsten Koppe; Hermann-J. Frohn; Hélène P. A. Mercier; Gary J. Schrobilgen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3205 - 3217
• a: 9.918 ± 0.002 Å
• b: 16.269 ± 0.004 Å
• c: 16.783 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2708 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No