Information card for entry 2205391

Structure parameters

• Chemical name: 2,2'-Diamino-4,4'-bi-1,3-thiazolium (2R,3R)-tartrate
• Formula: C10 H12 N4 O6 S2
• Calculated formula: C10 H12 N4 O6 S2
• SMILES: s1c([nH+]c(c1)c1[nH+]c(sc1)N)N.[O-]C(=O)[C@H](O)[C@@H](O)C(=O)[O-]
• Title of publication: 2,2'-Diamino-4,4'-bi-1,3-thiazolium (2<i>R</i>,3<i>R</i>)-tartrate
• Authors of publication: Liu, Bing-Xin; Xu, Duan-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o753 - o755
• a: 11.0122 ± 0.0007 Å
• b: 11.0122 ± 0.0007 Å
• c: 18.8285 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1977.4 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes