Information card for entry 4335440

Structure parameters

• Formula: C14 H13 Au Cl2 N4 O2
• Calculated formula: C14 H13 Au Cl2 N4 O2
• SMILES: [Au]1(Cl)(Cl)[n]2ccccc2C(=O)N1CCNC(=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: 7.477 ± 0.005 Å
• b: 10.21 ± 0.005 Å
• c: 11.023 ± 0.005 Å
• α: 85.443 ± 0.005°
• β: 79.313 ± 0.005°
• γ: 72.383 ± 0.005°
• Cell volume: 787.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No