Information card for entry 1558067

Structure parameters

• Formula: C23 H27 F9 I Ir N3 O2 P
• Calculated formula: C23 H27 F9 I Ir N3 O2 P
• Title of publication: Ligand-centred redox activation of inert organoiridium anticancer catalysts
• Authors of publication: Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 21
• Pages of publication: 5466 - 5480
• a: 9.8587 ± 0.0001 Å
• b: 20.2807 ± 0.0002 Å
• c: 15.0835 ± 0.0002 Å
• α: 90°
• β: 105.245 ± 0.001°
• γ: 90°
• Cell volume: 2909.69 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.0526
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No