Information card for entry 7131273

Structure parameters

• Formula: B3 Cs F2 H2 O5
• Calculated formula: B3 Cs F2 H2 O5
• Title of publication: Cs[B₃O₃F₂(OH)₂]: discovery of a hydroxyfluorooxoborate guided by selective organic-inorganic transformation.
• Authors of publication: Chen, Ziqi; Li, Fuming; Han, Jian; Yang, Zhihua; Pan, Shilie; Mutailipu, Miriding
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 15
• Pages of publication: 2114 - 2117
• a: 7.4498 ± 0.0005 Å
• b: 5.9711 ± 0.0004 Å
• c: 15.5448 ± 0.0012 Å
• α: 90°
• β: 100.466 ± 0.003°
• γ: 90°
• Cell volume: 679.98 ± 0.08 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0475
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No