Information card for entry 7228384

Structure parameters

• Formula: C80 H120 Cl16 F24 Ir4 N24 O P4
• Calculated formula: C80 H120 Cl16 F24 Ir4 N24 O P4
• Title of publication: Reactions between hydroxyl-substituted alkylperoxy radicals and Criegee intermediates: correlations of the electronic characteristics of methyl substituents and the reactivity.
• Authors of publication: Zhao, Qiangli; Liu, Fengyi; Wang, Weina; Li, Chunying; Lü, Jian; Wang, Wenliang
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2017
• a: 37.887 ± 0.005 Å
• b: 8.061 ± 0.005 Å
• c: 20.793 ± 0.005 Å
• α: 90°
• β: 111.38 ± 0.005°
• γ: 90°
• Cell volume: 5913 ± 4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No