Information card for entry 2223888

Structure parameters

• Chemical name: 2,2'-Diamino-5,5'-dimethyl-4,4'-bi-1,3-thiazolium tetrachloridozincate(II)
• Formula: C8 H12 Cl4 N4 S2 Zn
• Calculated formula: C8 H12 Cl4 N4 S2 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].s1c([nH+]c(c1C)c1[nH+]c(sc1C)N)N
• Title of publication: 2,2'-Diamino-5,5'-dimethyl-4,4'-bi-1,3-thiazolium tetrachloridozincate(II)
• Authors of publication: Hosseinian, Akram; Mahjoub, Ali Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1456
• a: 8.9149 ± 0.0006 Å
• b: 9.6487 ± 0.0007 Å
• c: 11.7361 ± 0.0008 Å
• α: 65.754 ± 0.005°
• β: 89.126 ± 0.005°
• γ: 62.496 ± 0.005°
• Cell volume: 797.22 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes