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Information card for entry 1568681
Preview
| Coordinates | 1568681.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C326 H425 Br3 Cu24 N10 O90 |
|---|---|
| Calculated formula | C322 H284 Br3 Cu24 N10 O90 |
| Title of publication | A copper-seamed coordination nanocapsule as a semiconductor photocatalyst for molecular oxygen activation. |
| Authors of publication | Hu, Xiangquan; Han, Meirong; Wang, Leicheng; Shao, Li; Peeyush, Yadav; Du, Jialei; Kelley, Steven P.; Dalgarno, Scott J.; Atwood, David A.; Feng, Sisi; Atwood, Jerry L. |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 17 |
| Pages of publication | 4532 - 4537 |
| a | 22.579 ± 0.008 Å |
| b | 22.754 ± 0.008 Å |
| c | 24.113 ± 0.008 Å |
| α | 108.799 ± 0.005° |
| β | 106.39 ± 0.005° |
| γ | 104.441 ± 0.005° |
| Cell volume | 10431 ± 6 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2263 |
| Residual factor for significantly intense reflections | 0.1196 |
| Weighted residual factors for significantly intense reflections | 0.3193 |
| Weighted residual factors for all reflections included in the refinement | 0.3859 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284206 (current) | 2023-06-05 | cif/ Updating files of 1568681 Original log message: Adding full bibliography for 1568681.cif. |
1568681.cif |
| 281960 | 2023-03-22 | cif/ Adding structures of 1568681 via cif-deposit CGI script. |
1568681.cif |
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Users of the data should acknowledge the original authors of the
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