Information card for entry 4335442

Structure parameters

• Formula: C13 H11 Au Cl2 N2 O2
• Calculated formula: C13 H11 Au Cl2 N2 O2
• SMILES: c1cccc2C(=O)N(c3ccc(cc3)OC)[Au]([n]12)(Cl)Cl
• Title of publication: Gold(III) Complexes of Pyridyl- and Isoquinolylamido Ligands: Structural, Spectroscopic, and Biological Studies of a New Class of Dual Topoisomerase I and II Inhibitors
• Authors of publication: Colin R. Wilson; Alexander M. Fagenson; Wanvipa Ruangpradit; Mark T. Muller; Orde Q. Munro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7889 - 7906
• a: 12.971 ± 0.005 Å
• b: 8.701 ± 0.005 Å
• c: 14.068 ± 0.005 Å
• α: 90°
• β: 114.723 ± 0.005°
• γ: 90°
• Cell volume: 1442.2 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No