Information card for entry 4342699

Structure parameters

• Formula: C20 H23 Cl F N5 O2 S
• Calculated formula: C20 H23 Cl F N5 O2 S
• Title of publication: Synthesis, reactivity, and biological activity of gold(i) complexes modified with thiourea-functionalized tyrosine kinase inhibitors.
• Authors of publication: Yang, Mu; Pickard, Amanda J.; Qiao, Xin; Gueble, Matthew J.; Day, Cynthia S.; Kucera, Gregory L.; Bierbach, Ulrich
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3316 - 3324
• a: 17.682 ± 0.002 Å
• b: 21.055 ± 0.003 Å
• c: 13.645 ± 0.003 Å
• α: 90°
• β: 121.132 ± 0.001°
• γ: 90°
• Cell volume: 4348.3 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No