Information card for entry 7013710

Structure parameters

• Common name: (((2-Dimethylammoniummethyl)phenyl)(2-pyridineformamide (N3- dimethyl)thiosemicarbazonatogold(iii))) dichloride x H2O (Au(Hdamp- C)(dmpytsc))Cl2 x H2O
• Chemical name: [{(2-Dimethylammoniummethyl)phenyl}{2-pyridineformamide (N3-dimethyl)thiosemicarbazonatogold(III)}] dichloride x H2O [Au(Hdamp-C)(dmpytsc)]Cl2 x H2O
• Formula: C18 H27 Au Cl2 N6 O S
• Calculated formula: C18 H27 Au Cl2 N6 O S
• SMILES: [Au]12([n]3c(C(=[N]2N=C(S1)N(C)C)N)cccc3)c1c(cccc1)C[NH+](C)C.[Cl-].[Cl-].O
• Title of publication: Stable gold(III) complexes with thiosemicarbazone derivatives.
• Authors of publication: Santos, Isabel Garcia; Hagenbach, Adelheid; Abram, Ulrich
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 677 - 682
• a: 11.181 ± 0.002 Å
• b: 11.348 ± 0.002 Å
• c: 11.926 ± 0.002 Å
• α: 65.74 ± 0.01°
• β: 64.32 ± 0.01°
• γ: 63.94 ± 0.01°
• Cell volume: 1178.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0425
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No