Information card for entry 7041829

Structure parameters

• Common name: [Au(L1e)(Hdamp)]Cl.H2O
• Chemical name: (N-(N'',N''-diethylaminothiocarbonyl)-N'(N''',N'''-dipropylcarbothioamide)benzamidineto)(2-(dimethylamoniummethyl)phenyl-C1)gold(III) chloride
• Formula: C28 H44 Au Cl N6 O S2
• Calculated formula: C28 H44 Au Cl N6 O S2
• SMILES: C1(=NC(=[N]2N=C(N(CCC)CCC)S[Au]2(c2ccccc2C[NH+](C)C)S1)c1ccccc1)N(CC)CC.O.[Cl-]
• Title of publication: Organometallic gold(iii) complexes with hybrid SNS-donating thiosemicarbazone ligands: cytotoxicity and anti-Trypanosoma cruzi activity.
• Authors of publication: Maia, P I da S; Carneiro, Z. A.; Lopes, C. D.; Oliveira, C. G.; Silva, J. S.; de Albuquerque, S.; Hagenbach, A.; Gust, R.; Deflon, V. M.; Abram, U.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 2559 - 2571
• a: 11.0077 ± 0.0004 Å
• b: 12.3387 ± 0.0004 Å
• c: 24.8904 ± 0.001 Å
• α: 102.496 ± 0.002°
• β: 101.707 ± 0.002°
• γ: 93.801 ± 0.002°
• Cell volume: 3210.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No