Information card for entry 7009112

Structure parameters

• Common name: [Au(Hdamp-C1)Cl(mepyrtsc)]Cl
• Chemical name: (2-(N,N-dimethylammoniummethyl)phenyl-C)(N-methylpyrrol-2-carboxaldehydetsc) (Cl)Au(III))Cl
• Formula: C16 H22 Au Cl2 N5 S
• Calculated formula: C16 H22 Au Cl2 N5 S
• SMILES: [Au]1(Cl)(SC(N)=N[N]1=Cc1n(C)ccc1)c1ccccc1C[NH+](C)C.[Cl-]
• Title of publication: Gold complexes with thiosemicarbazones: reactions of bi- and tridentate thiosemicarbazones with dichloro[2-(dimethylaminomethyl)phenyl-C 1,N ]gold(III), [Au(damp-C 1,N )Cl2]
• Authors of publication: Abram, Ulrich; Ortner, Kirstin; Gust, Ronald; Sommer, Klaus
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 735
• a: 12.8583 ± 0.0014 Å
• b: 12.559 ± 0.003 Å
• c: 12.904 ± 0.002 Å
• α: 90°
• β: 97.206 ± 0.017°
• γ: 90°
• Cell volume: 2067.4 ± 0.6 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1295
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No