Information card for entry 7711223

Structure parameters

• Formula: B2 Cd O16 S4
• Calculated formula: B2 Cd O16 S4
• Title of publication: Cd[B2(SO4)4] and H2[B2(SO4)4] – A phyllosilicate analogue borosulfate and its homeotypic heteropolyacid
• Authors of publication: Bruns, Jörn; Höppe, Henning A.; Hämmer, Matthias; Pasqualini, Leonard C.; Huppertz, Hubert; Sebastian, Sean
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.0611 ± 0.0009 Å
• b: 7.9599 ± 0.0005 Å
• c: 9.4045 ± 0.001 Å
• α: 90°
• β: 109.959 ± 0.003°
• γ: 90°
• Cell volume: 567.2 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0163
• Residual factor for significantly intense reflections: 0.0143
• Weighted residual factors for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.0386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No