Information card for entry 1558070

Structure parameters

• Formula: C22 H27.5 Cl1.5 Ir N3 O2
• Calculated formula: C22 H27.5 Cl1.5 Ir N3 O2
• 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: 8.93939 ± 0.00015 Å
• b: 18.6768 ± 0.0003 Å
• c: 13.452 ± 0.0002 Å
• α: 90°
• β: 94.066 ± 0.0014°
• γ: 90°
• Cell volume: 2240.28 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.035
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.297
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No