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Information card for entry 1555282
Preview
| Coordinates | 1555282.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H28 O16 Zr3 |
|---|---|
| Calculated formula | C63 O16 Zr3 |
| Title of publication | Visible-light harvesting pyrene-based MOFs as efficient ROS generators |
| Authors of publication | Zhang, Yingmu; Pang, Jiandong; Li, Jialuo; Yang, Xinyu; Feng, Mingbao; Cai, Peiyu; Zhou, Hong-Cai |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| Journal volume | 10 |
| Journal issue | 36 |
| Pages of publication | 8455 |
| a | 15.092 ± 0.0012 Å |
| b | 15.092 ± 0.0012 Å |
| c | 98.494 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 22434 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 4 |
| Space group number | 141 |
| Hermann-Mauguin space group symbol | I 41/a m d :2 |
| Hall space group symbol | -I 4bd 2 |
| Residual factor for all reflections | 0.1655 |
| Residual factor for significantly intense reflections | 0.1121 |
| Weighted residual factors for significantly intense reflections | 0.319 |
| Weighted residual factors for all reflections included in the refinement | 0.3561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238434 (current) | 2019-11-24 | cif/ Adding structures of 1555282 via cif-deposit CGI script. |
1555282.cif |
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Users of the data should acknowledge the original authors of the
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