Information card for entry 4341317

Structure parameters

• Formula: C9 H4.5 B F11 N1.5 Xe
• Calculated formula: C9 H4.5 B F11 N1.5 Xe
• SMILES: [B](F)(F)(F)[F-].c1(c(c(c(c(c1F)F)F)F)F)[Xe](F)F.C(#N)C.C(#N)C
• 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: 12.752 ± 0.005 Å
• b: 23.52 ± 0.005 Å
• c: 19.398 ± 0.005 Å
• α: 90°
• β: 103.213 ± 0.005°
• γ: 90°
• Cell volume: 5664 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No