Information card for entry 7710628

Structure parameters

• Formula: Ca2 H24 N4 O20 S4
• Calculated formula: Ca2 H24 N4 O20 S4
• 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: 11.625 ± 0.0004 Å
• b: 7.7639 ± 0.0003 Å
• c: 11.6238 ± 0.0004 Å
• α: 90°
• β: 98.957 ± 0.002°
• γ: 90°
• Cell volume: 1036.32 ± 0.06 ų
• Cell temperature: 266 ± 2 K
• Ambient diffraction temperature: 266 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No