Information card for entry 2009877

Structure parameters

• Chemical name: Bis(2-acetylamino-1,3,5-thiadiazole-2-sulfon)amide Dihydrate
• Formula: C8 H13 N7 O8 S4
• Calculated formula: C8 H13 N7 O8 S4
• Title of publication: Bis(5-acetylamino-1,3,4-thiadiazole-2-sulfon)amide dihydrate
• Authors of publication: Vinković, Mladen; Mutak, Stjepan; Nagl, Ante; Kamenar, Boris
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 1099 - 1101
• a: 16.045 ± 0.007 Å
• b: 11.868 ± 0.004 Å
• c: 9.828 ± 0.005 Å
• α: 90°
• β: 104.74 ± 0.02°
• γ: 90°
• Cell volume: 1809.9 ± 1.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for significantly intense reflections: 0.796
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No