Information card for entry 7710624

Structure parameters

• Formula: Ca H6 N2 O7 S2
• Calculated formula: Ca H6 N2 O7 S2
• Title of publication: New Alkaline-Earth Amidosulfates and their Unexpected Decomposition to S4N4
• Authors of publication: Gross, Peter; Zhang, Yue; Bayarjargal, Lkhamsuren; Winkler, Bjoern; Höppe, Henning A.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.99 ± 0.003 Å
• b: 8.123 ± 0.003 Å
• c: 12.009 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 779.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No