Information card for entry 4102049

Structure parameters

• Formula: As Br F12 Kr2 O
• Calculated formula: As Br F12 Kr2 O
• SMILES: [Br+](F)(F)=O.[Kr](F)F.[F-][As](F)(F)(F)(F)F.F[Kr]F
• Title of publication: A Rare Example of a Krypton Difluoride Coordination Compound: [BrOF2][AsF6].2KrF2
• Authors of publication: David S. Brock; Jonathan J. Casalis de Pury; Hélène P. A. Mercier; Gary J. Schrobilgen; Bernard Silvi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 3533 - 3542
• a: 5.7166 ± 0.0006 Å
• b: 13.6438 ± 0.0014 Å
• c: 15.1053 ± 0.0015 Å
• α: 90°
• β: 111.446 ± 0.004°
• γ: 90°
• Cell volume: 1096.6 ± 0.2 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: 0.086
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.629
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No