Information card for entry 7124094

Structure parameters

• Formula: C38 H56 Cl2 Ir2 N2 O6
• Calculated formula: C38 H56 Cl2 Ir2 N2 O6
• Title of publication: Anticancer Organorhodium and -iridium Complexes with Low Toxicity in vivo but High Potency in vitro: DNA Damage, Reactive Oxygen Species Formation, and Haemolytic Activity
• Authors of publication: Parveen, Shahida; Hanif, Muhammad; Leung, Euphemia; Tong, Kelvin; Yang, Annie; Astin, Jonathan; De Zoysa , Gayan Heruka; Steel , Tasha R.; Goodman, David; Movassaghi, Sanam; Soehnel, Tilo; Sarojini, Vijayalekshmi; Jamieson, Stephen; Hartinger, Christian
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.8857 ± 0.0002 Å
• b: 14.3838 ± 0.0003 Å
• c: 17.7206 ± 0.0004 Å
• α: 90°
• β: 97.4552 ± 0.0014°
• γ: 90°
• Cell volume: 1992.99 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0415
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No