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Information card for entry 1547591
Preview
| Coordinates | 1547591.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cu-P6 |
|---|---|
| Formula | C78 H64 Cl2 Cu2 P4 |
| Calculated formula | C78 H64 Cl2 Cu2 P4 |
| Title of publication | A Host Material for Deep-Blue Electrophosphorescence Based on a Cuprous Metal‒Organic Framework |
| Authors of publication | You, Zhensheng; Li, Heng; Zhang, Lijun; Yu, Bing; Zhang, Jin; Wu, Xiaoming |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2017 |
| Journal volume | 121 |
| Journal issue | 41 |
| Pages of publication | 23072 |
| a | 19.295 ± 0.003 Å |
| b | 20.238 ± 0.002 Å |
| c | 21.0495 ± 0.0019 Å |
| α | 90.57 ± 0.008° |
| β | 100.738 ± 0.011° |
| γ | 116.476 ± 0.014° |
| Cell volume | 7188.2 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2529 |
| Residual factor for significantly intense reflections | 0.12 |
| Weighted residual factors for significantly intense reflections | 0.2434 |
| Weighted residual factors for all reflections included in the refinement | 0.3221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202765 (current) | 2017-11-07 | cif/ Updating files of 1547591 Original log message: Adding full bibliography for 1547591.cif. |
1547591.cif |
| 201789 | 2017-10-06 | cif/ Adding structures of 1547591 via cif-deposit CGI script. |
1547591.cif |
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Users of the data should acknowledge the original authors of the
structural data.