Information card for entry 4084683

Structure parameters

• Formula: C36 H39 F6 Ir N3 O P
• Calculated formula: C36 H39 F6 Ir N3 O P
• Title of publication: Potent Half-Sandwich Iridium(III) Anticancer Complexes Containing C(∧)N-Chelated and Pyridine Ligands.
• Authors of publication: Liu, Zhe; Romero-Canelón, Isolda; Habtemariam, Abraha; Clarkson, Guy J.; Sadler, Peter J.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5324 - 5333
• a: 8.901 ± 0.0002 Å
• b: 20.8474 ± 0.0006 Å
• c: 18.7889 ± 0.0004 Å
• α: 90°
• β: 101.449 ± 0.002°
• γ: 90°
• Cell volume: 3417.14 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0354
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No