Information card for entry 7013709

Structure parameters

• Common name: ((2-dimethylammoniummethyl-phenyl) 2-pyridineformamide -N(4) - methylthiosemicarbazonatogold(iii)) dichloride x 3H2O
• Chemical name: [(2-dimethylammoniummethyl-phenyl) 2-pyridineformamide -N(4) -methylthiosemicarbazonatogold(III)] dichloride x 3H2O
• Formula: C17 H23 Au Cl2 N6 O3 S
• Calculated formula: C17 H29 Au Cl2 N6 O3 S
• SMILES: [Au]12([N](=C(c3[n]1cccc3)N)N=C(S2)NC)c1ccccc1C[NH+](C)C.[Cl-].[Cl-].O.O.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: 9.967 ± 0.01 Å
• b: 10.818 ± 0.006 Å
• c: 12.923 ± 0.004 Å
• α: 83.14 ± 0.03°
• β: 74.27 ± 0.03°
• γ: 63.34 ± 0.05°
• Cell volume: 1198.6 ± 1.5 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: 0.051
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No