Information card for entry 2202241

Structure parameters

• Formula: C10 H10 N4 O4 S2
• Calculated formula: C10 H10 N4 O4 S2
• SMILES: c1(c2csc(N)[nH+]2)csc(N)[nH+]1.C(=C\C(=O)[O-])/C(=O)[O-]
• Title of publication: 2,2'-Diamino-4,4'-bi-1,3-thiazolium fumarate
• Authors of publication: Jia-Geng Liu; Duan-Jun Xu; Wei-Lin Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o812 - o813
• a: 5.2834 ± 0.0017 Å
• b: 7.936 ± 0.003 Å
• c: 14.37 ± 0.005 Å
• α: 90°
• β: 98.164 ± 0.006°
• γ: 90°
• Cell volume: 596.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes