Information card for entry 7009111

Structure parameters

• Common name: [Au(Hdamp-C1)Cl(Hsaltsc)]PF6
• Chemical name: [Au(Hdamp-C1)Cl(Hsaltsc)]PF6
• Formula: C17 H21 Au Cl F6 N4 O P S
• Calculated formula: C17 H21 Au Cl F6 N4 O P S
• SMILES: [Au]1([N](N=C(S1)N)=Cc1c(O)cccc1)(Cl)c1ccccc1C[NH+](C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 12.799 ± 0.003 Å
• b: 10.504 ± 0.001 Å
• c: 16.973 ± 0.004 Å
• α: 90°
• β: 93.38 ± 0.01°
• γ: 90°
• Cell volume: 2277.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• 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: 0.0916
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No