Information card for entry 4341319

Structure parameters

• Common name: (C6 F7 Xe) (B F4) (H2 F2)
• Formula: C6 H2 B F13 Xe
• Calculated formula: C6 H2 B F13 Xe
• SMILES: [Xe](F)(F)c1c(F)c(F)c(F)c(F)c1F.[B](F)(F)(F)[F-].F.F
• Title of publication: Xenon(IV)-Carbon Bond of [C6F5XeF2](+); Structural Characterization and Bonding of [C6F5XeF2][BF4], [C6F5XeF2][BF4]·2HF, and [C6F5XeF2][BF4]·nNCCH 3 (n = 1, 2); and the Fluorinating Properties of [C6F5XeF2][BF4].
• Authors of publication: Koppe, Karsten; Haner, Jamie; Mercier, Hélène P A; Frohn, Hermann-J; Schrobilgen, Gary J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 11640 - 11661
• a: 7.1022 ± 0.0002 Å
• b: 19.5471 ± 0.0005 Å
• c: 9.0812 ± 0.0002 Å
• α: 90°
• β: 109.966 ± 0.0012°
• γ: 90°
• Cell volume: 1184.94 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.334
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No