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Information card for entry 1568033
Preview
| Coordinates | 1568033.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C168 H160 N8 O48 P8 Re4 Si W12 |
|---|---|
| Calculated formula | C168 H160 N8 O48 P8 Re4 Si W12 |
| SMILES | [Re]12([P](CCCCCC[P]([Re]3([P](CCCCCC[P](c4ccccc4)(c4ccccc4)[Re]4([P](CCCCCC[P]([Re]5([P](c6ccccc6)(c6ccccc6)CCCCCC[P]1(c1ccccc1)c1ccccc1)([n]1ccccc1c1[n]5cccc1)(C#[O])C#[O])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([n]1ccccc1c1[n]4cccc1)(C#[O])C#[O])(c1ccccc1)c1ccccc1)([n]1ccccc1c1[n]3cccc1)(C#[O])C#[O])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([n]1c(c3[n]2cccc3)cccc1)(C#[O])C#[O].[W]1234(O[W]567(O[W]89%10(O[W]%11%12(O1)(O[W]1%13(O[W]%14%15%16(O[W]%17(O%11)(O8)([O]9%12[Si]89[O]46[W]4(O3)(O7)(O[W]36(O[W]7(O%10)(O5)(O[W](O%17)(O%16)([O]937)(O6)=O)=O)(O[W](O1)(O4)(O%14)([O]%13%158)=O)=O)=O)=O)=O)(O2)=O)=O)=O)=O)=O |
| Title of publication | Supramolecular multi-electron redox photosensitisers comprising a ring-shaped Re(i) tetranuclear complex and a polyoxometalate. |
| Authors of publication | Takahashi, Maria; Asatani, Tsuyoshi; Morimoto, Tatsuki; Kamakura, Yoshinobu; Fujii, Kotaro; Yashima, Masatomo; Hosokawa, Naoki; Tamaki, Yusuke; Ishitani, Osamu |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 3 |
| Pages of publication | 691 - 704 |
| a | 18.8254 ± 0.0003 Å |
| b | 23.1045 ± 0.0003 Å |
| c | 33.0343 ± 0.0004 Å |
| α | 101.307 ± 0.001° |
| β | 101.064 ± 0.001° |
| γ | 112.648 ± 0.001° |
| Cell volume | 12422.4 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0629 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1463 |
| Weighted residual factors for all reflections included in the refinement | 0.1533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281401 (current) | 2023-03-04 | cif/ Updating files of 1568032, 1568033 Original log message: Adding full bibliography for 1568032--1568033.cif. |
1568033.cif |
| 279669 | 2022-12-02 | cif/ Adding structures of 1568032, 1568033 via cif-deposit CGI script. |
1568033.cif |
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Users of the data should acknowledge the original authors of the
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