Information card for entry 1571119

Structure parameters

• Chemical name: F-yea
• Formula: C32 H26 F8 Ir N4 P
• Calculated formula: C32 H26 F8 Ir N4 P
• Title of publication: In Situ Synthesis of Hexadentate Cyclometalated Ir(III) Complexes as Photocatalysts for the Oxidation of Sulfides into Sulfoxides in Water
• Authors of publication: Fan, Jing-Yan; Yao, Su-Yang; Ye, Bao-Hui
• Journal of publication: Inorganics
• Year of publication: 2024
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 73
• a: 8.3615 ± 0.0003 Å
• b: 10.698 ± 0.0005 Å
• c: 19.256 ± 0.0007 Å
• α: 76.136 ± 0.004°
• β: 84.487 ± 0.003°
• γ: 77.048 ± 0.003°
• Cell volume: 1628.11 ± 0.12 ų
• Cell temperature: 149.98 ± 0.1 K
• Ambient diffraction temperature: 149.98 ± 0.1 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: 0.0395
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No