Information card for entry 2239751

Structure parameters

• Chemical name: Bis(2-amino-4-phenyl-1,3-thiazol-3-ium) tetrachloridopalladate(II)
• Formula: C18 H18 Cl4 N4 Pd S2
• Calculated formula: C18 H18 Cl4 N4 Pd S2
• SMILES: c1(ccccc1)c1[nH+]c(N)sc1.[Pd](Cl)(Cl)([Cl-])[Cl-].c1([nH+]c(cs1)c1ccccc1)N
• Title of publication: Bis(2-amino-4-phenyl-1,3-thiazol-3-ium) tetrachloridopalladate(II)
• Authors of publication: Reyes-Martínez, Reyna; Carballo, Rubén M.; Mena-Rejón, Gonzalo J.; Hernández-Ortega, Simón; Cáceres-Castillo, David
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: m295
• a: 7.288 ± 0.0002 Å
• b: 8.9214 ± 0.0003 Å
• c: 9.8192 ± 0.0003 Å
• α: 66.258 ± 0.001°
• β: 73.778 ± 0.001°
• γ: 84.468 ± 0.001°
• Cell volume: 561.04 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0204
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes