Information card for entry 7702304

Structure parameters

• Chemical name: Chloro{2(N,N-dimethylammoniummethyl)phenyl-C1} (6-mercaptopurinato)gold(III) chloride
• Formula: C14 H16 Au Cl2 N5 S
• Calculated formula: C14 H16 Au Cl2 N5 S
• Title of publication: Reactions of dichloro[2-(dimethylaminomethyl)phenyl-C1,N ]gold(III), [Au(damp-C1,N )Cl2], with heterocyclic thiols. Evidence for Au‒N bond cleavage and protonation of the dimethylamino group
• Authors of publication: Abram, Ulrich; Mack, Jürgen; Ortner, Kirstin; Müller, Martin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 6
• Pages of publication: 1011
• a: 10.599 ± 0.003 Å
• b: 9.762 ± 0.002 Å
• c: 17.452 ± 0.005 Å
• α: 90°
• β: 101.71 ± 0.01°
• γ: 90°
• Cell volume: 1768.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections: 0.1152
• Weighted residual factors for significantly intense reflections: 0.0975
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for significantly intense reflections: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No