Information card for entry 4109206

Structure parameters

• Formula: C2 H3 F2 N O Xe
• Calculated formula: C2 H3 F2 N O Xe
• SMILES: [Xe](=O)(F)F.N#CC
• Title of publication: XeOF2, F2OXeN\τbCCH3, and XeOF2.nHF: Rare Examples of Xe(IV) Oxide Fluorides
• Authors of publication: David S. Brock; Vural Bilir; Hélène P. A. Mercier; Gary J. Schrobilgen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 3598 - 3611
• a: 8.7819 ± 0.0004 Å
• b: 13.9862 ± 0.0006 Å
• c: 11.0182 ± 0.0006 Å
• α: 90°
• β: 128.476 ± 0.002°
• γ: 90°
• Cell volume: 1059.47 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No