Information card for entry 4304708

Structure parameters

• Formula: C32 H3 B F25 N Xe
• Calculated formula: C32 H3 B F25 N Xe
• SMILES: [Xe]([N]#CC)c1c(F)c(F)c(F)c(F)c1F.Fc1c(F)c(F)c(F)c(F)c1[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• 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: 10.6064 ± 0.0017 Å
• b: 22.458 ± 0.004 Å
• c: 13.8349 ± 0.0018 Å
• α: 90°
• β: 94.775 ± 0.005°
• γ: 90°
• Cell volume: 3284 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No