Information card for entry 4325440

Structure parameters

• Formula: C29.5 H35 Cl3 Ir O4 n7
• Calculated formula: C29.5 H35 Cl3 Ir N7 O4
• Title of publication: Contrasting Reactivity and Cancer Cell Cytotoxicity of Isoelectronic Organometallic Iridium(III) Complexes
• Authors of publication: Zhe Liu; Luca Salassa; Abraha Habtemariam; Ana M. Pizarro; Guy J. Clarkson; Peter J. Sadler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5777 - 5783
• a: 11.00314 ± 0.00016 Å
• b: 12.2976 ± 0.0002 Å
• c: 13.3976 ± 0.0002 Å
• α: 76.731 ± 0.0014°
• β: 67.6432 ± 0.0014°
• γ: 88.3673 ± 0.0013°
• Cell volume: 1628.35 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0239
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No