Information card for entry 4328168

Structure parameters

• Common name: [Au(AZPTSC)(CN)]
• Chemical name: Cyanato(N-(N'',N''-diethylaminothiocarbonyl)-N'(N''', N'''- hexamethylenecarbothioamide)benzamidineto)gold(III)
• Formula: C20 H27 Au N6 S2
• Calculated formula: C20 H27 Au N6 S2
• SMILES: [Au]12(SC(=N[N]2=C(N=C(S1)N(CC)CC)c1ccccc1)N1CCCCCC1)C#N
• 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: 13.927 ± 0.001 Å
• b: 9.67 ± 0.001 Å
• c: 33.253 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4478.3 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0875
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No