Information card for entry 4316068

Structure parameters

• Common name: Cl O F2 (As F6)
• Formula: As Cl F8 O
• Calculated formula: As Cl F8 O
• SMILES: [As](F)(F)(F)(F)(F)[F-].[Cl+](=O)(F)F
• Title of publication: XeF2 Coordination to a Halogen Center; Raman Spectra (n= 1, 2) and X-ray Crystal Structures (n= 2) of [BrOF2][AsF6].nXeF2 and [XOF2][AsF6] (X = Cl, Br)
• Authors of publication: David S. Brock; Jonathan J. Casalis de Pury; Hélène P. A. Mercier; Gary J. Schrobilgen; Bernard Silvi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6673 - 6689
• a: 14.686 ± 0.0016 Å
• b: 5.2072 ± 0.0006 Å
• c: 8.107 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 619.97 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No