Information card for entry 2008525

Structure parameters

• Formula: C2 H10 N4 O6 S
• Calculated formula: C2 H10 N4 O6 S
• SMILES: S(=O)(=O)([O-])[O-].OC(=[NH2+])N.OC(=[NH2+])N
• Title of publication: Uronium sulfate, [OHC(NH~2~)~2~]~2~(SO~4~)
• Authors of publication: Chen, Tianlang; Xiao, Shenxiu; Zhong, Boyu; Stern, Charlotte L.; Ellis, Donald E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 994 - 996
• a: 10.594 ± 0.002 Å
• b: 7.461 ± 0.004 Å
• c: 22.92 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1811.6 ± 1.1 ų
• Cell temperature: 153.2 K
• Ambient diffraction temperature: 153.2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for all reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.034
• Goodness-of-fit parameter for all reflections: 2.217
• Goodness-of-fit parameter for all reflections included in the refinement: 2.44
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No