Information card for entry 4328170

Structure parameters

• Common name: [AuCl(AZPTSC)]
• Chemical name: Chloro(N-(N'',N''-diethylaminothiocarbonyl)-N'(N''', N'''-hexamethylene carbothioamide)benzamidinato)gold(III)
• Formula: C19 H27 Au Cl N5 S2
• Calculated formula: C19 H27 Au Cl N5 S2
• SMILES: [Au]12(SC(=N[N]2=C(N=C(S1)N(CC)CC)c1ccccc1)N1CCCCCC1)Cl
• Title of publication: Neutral Gold Complexes with Tridentate SNS Thiosemicarbazide Ligands
• Authors of publication: Pedro Ivo da Silva Maia; Hung Huy Nguyen; Daniela Ponader; Adelheid Hagenbach; Silke Bergemann; Ronald Gust; Victor Marcelo Deflon; Ulrich Abram
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1604 - 1613
• a: 13.7878 ± 0.0006 Å
• b: 9.7254 ± 0.0005 Å
• c: 33.28 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4462.6 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No