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Information card for entry 7057400
Preview
| Coordinates | 7057400.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C58 H62 Er2 N8 O14 |
|---|---|
| Calculated formula | C58 H62 Er2 N8 O14 |
| Title of publication | Regulating the luminescent and magnetic properties of rare-earth complexes with β-diketonate coligands |
| Authors of publication | Chu, Xiao-Ya; Wang, Wen-Min; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| Journal volume | 42 |
| Journal issue | 14 |
| Pages of publication | 11417 |
| a | 9.4246 ± 0.0019 Å |
| b | 24.17 ± 0.005 Å |
| c | 13.79 ± 0.003 Å |
| α | 90° |
| β | 109.7 ± 0.03° |
| γ | 90° |
| Cell volume | 2957.4 ± 1.2 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113.15 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0497 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.1067 |
| Weighted residual factors for all reflections included in the refinement | 0.1197 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7057400.cif |
| 230406 | 2019-11-17 | cif/ Updating files of 7057395, 7057396, 7057397, 7057398, 7057399, 7057400, 7057401, 7057402, 7057403, 7057404, 7057405 Original log message: Adding full bibliography for 7057395--7057405.cif. |
7057400.cif |
| 207683 | 2018-05-08 | cif/ Adding structures of 7057395, 7057396, 7057397, 7057398, 7057399, 7057400, 7057401, 7057402, 7057403, 7057404, 7057405 via cif-deposit CGI script. |
7057400.cif |
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Users of the data should acknowledge the original authors of the
structural data.