Information card for entry 1570094

Structure parameters

• Formula: C47.25 H43.5 Cl2.5 F10 Ir N4 O4
• Calculated formula: C47.262 H43.527 Cl2.5 F10 Ir N4 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: 17.915 ± 0.0008 Å
• b: 22.4618 ± 0.0009 Å
• c: 25.0531 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10081.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No