Information card for entry 1570095

Structure parameters

• Formula: C53 H52 F10 Ir N5 O4
• Calculated formula: C52.5 H52 F10 Ir N5 O4
• Title of publication: Towards catalytic redox-active iridium polypyridyl complex by in situ photosubstitution
• Authors of publication: Tan, Yi Zhen; Wu, Xiangyang; Lu, Yunpeng; Chiba, Shunsuke; Yeow, Edwin K. L.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 66 - 75
• a: 25.7551 ± 0.0005 Å
• b: 19.7204 ± 0.0004 Å
• c: 22.789 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11574.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.23
• Weighted residual factors for all reflections included in the refinement: 0.2591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No