Information card for entry 4335441

Structure parameters

• Formula: C15 H15 Au Cl2 N4 O2
• Calculated formula: C15 H15 Au Cl2 N4 O2
• SMILES: [Au]1(Cl)(Cl)[n]2ccccc2C(=O)N1CCCNC(=O)c1ncccc1
• 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: 11.188 ± 0.005 Å
• b: 10.192 ± 0.005 Å
• c: 15.132 ± 0.005 Å
• α: 90°
• β: 93.35 ± 0.005°
• γ: 90°
• Cell volume: 1722.5 ± 1.3 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: 0.0553
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No