Information card for entry 7721061

Structure parameters

• Formula: C66 H28 Cl2 F20 Ir N7
• Calculated formula: C66 H28 Cl2 F20 Ir N7
• Title of publication: Iridium(I)-Corrorin Complexes as Green-Light Photosensitizers for Singlet Oxygen
• Authors of publication: Wang, Yue; Wu, Yifan; Wang, Longxiang; Sang, Linxue; Cao, Jianfang; Furuta, Hiroyuki; Xue, Songlin; Feng, Ru
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 17.1169 ± 0.0016 Å
• b: 21.148 ± 0.002 Å
• c: 20.1177 ± 0.0019 Å
• α: 90°
• β: 108.886 ± 0.003°
• γ: 90°
• Cell volume: 6890.3 ± 1.1 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No