Information card for entry 4316066

Structure parameters

• Common name: (F2 O Br)(F6 As)(F2 Xe)(F2 Xe)
• Formula: As Br F12 O Xe2
• Calculated formula: As Br F12 O Xe2
• SMILES: [Xe](F)F.[Xe](F)[F][Br](F)(F)=O.[As](F)(F)(F)(F)(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: 5.9282 ± 0.0003 Å
• b: 13.9789 ± 0.0008 Å
• c: 15.3983 ± 0.0009 Å
• α: 90°
• β: 111.859 ± 0.002°
• γ: 90°
• Cell volume: 1184.31 ± 0.12 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• 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: 0.0505
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No