Information card for entry 2012617

Structure parameters

• Chemical name: Bis(thiourea-κS)gold(I) chloride
• Formula: C2 H8 Au Cl N4 S2
• Calculated formula: C2 H8 Au Cl N4 S2
• SMILES: C(N)(=[S][Au][S]=C(N)N)N.[Cl-]
• Title of publication: Two thiourea-containing gold(I) complexes
• Authors of publication: Piro, Oscar E.; Castellano, Eduardo E.; Piatti, Roberto C. V.; Bolzán, Agustín E.; Arvia, Alejandro J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: m252 - m255
• a: 8.3991 ± 0.001 Å
• b: 15.51 ± 0.003 Å
• c: 7.1584 ± 0.001 Å
• α: 90°
• β: 104.261 ± 0.01°
• γ: 90°
• Cell volume: 903.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes