Information card for entry 1557209

Structure parameters

• Common name: Caesium tetrafluoridobromate(III)
• Chemical name: Caesium tetrafluoridobromate(III)
• Formula: Br Cs F4
• Calculated formula: Br Cs F4
• SMILES: [F-][Br](F)(F)F.[Cs+]
• Title of publication: Redetermination of the crystal structure of caesium tetrafluoridobromate(III) from single-crystal X-ray diffraction data
• Authors of publication: Malin, Artem V.; Ivlev, Sergei I.; Ostvald, Roman V.; Kraus, Florian
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 1
• Pages of publication: x200114
• a: 5.5075 ± 0.0003 Å
• b: 6.789 ± 0.0003 Å
• c: 12.2572 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 458.3 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.0151
• Residual factor for significantly intense reflections: 0.0119
• Weighted residual factors for significantly intense reflections: 0.0212
• Weighted residual factors for all reflections included in the refinement: 0.0217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes