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Information card for entry 7721061
Preview
| Coordinates | 7721061.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306155 (current) | 2026-06-01 | cif/ Adding structures of 7721061 via cif-deposit CGI script. |
7721061.cif |
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Users of the data should acknowledge the original authors of the
structural data.