Information card for entry 7702302

Structure parameters

• Chemical name: chloro{2-(N,N-dimethylammoniummethyl) phenyl}bis(2-mercaptopyridinium)gold(II) chlorid x H2O
• Formula: C19 H23 Au Cl3 N3 O S2
• Calculated formula: C19 H23 Au Cl3 N3 O S2
• 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: 15.91 ± 0.006 Å
• b: 11.036 ± 0.003 Å
• c: 14.65 ± 0.005 Å
• α: 90°
• β: 71.22 ± 0.02°
• γ: 90°
• Cell volume: 2435.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0931
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections: 0.1383
• Weighted residual factors for significantly intense reflections: 0.1148
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No