Information card for entry 1550276

Structure parameters

• Chemical name: Dithiobis(formamidinium) bis(hydrogen sulfate)
• Formula: C2 H10 N4 O8 S4
• Calculated formula: C2 H10 N4 O8 S4
• SMILES: S(=O)(=O)(O)[O-].S(=O)(=O)([O-])O.S(SC(=[NH2+])N)C(=[NH2+])N
• Title of publication: Dithiobis(formamidinium) bis(hydrogen sulfate)
• Authors of publication: Zouihri, Hafid; El Korchi, Khadija; Yamni, Khalid; Tijani, Najib
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 11
• Pages of publication: x181540
• a: 5.1371 ± 0.0002 Å
• b: 9.5237 ± 0.0004 Å
• c: 12.9884 ± 0.0006 Å
• α: 106.521 ± 0.002°
• β: 96.067 ± 0.002°
• γ: 95.618 ± 0.002°
• Cell volume: 600.32 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes