Information card for entry 4118923

Structure parameters

• Formula: C242 H176 Cl4 F18 Ir6 N24 O19 S6
• Calculated formula: C242 H176 Cl4 F18 Ir6 N24 O19 S6
• Title of publication: Luminescent, Enantiopure, Phenylatopyridine Iridium-Based Coordination Capsules
• Authors of publication: Oleg Chepelin; Jakub Ujma; Xiaohua Wu; Alexandra M. Z. Slawin; Mateusz B. Pitak; Simon J. Coles; Julien Michel; Anita C. Jones; Perdita E. Barran; Paul J. Lusby
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 19334 - 19337
• a: 18.2508 ± 0.0004 Å
• b: 19.216 ± 0.0005 Å
• c: 20.1901 ± 0.0014 Å
• α: 84.8 ± 0.006°
• β: 63.27 ± 0.005°
• γ: 72.872 ± 0.005°
• Cell volume: 6036.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No