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Information card for entry 7221664
Preview
| Coordinates | 7221664.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H22 Er F9 O8 |
|---|---|
| Calculated formula | C30 H22 Er F9 O8 |
| SMILES | C(C1=CC(c2ccccc2)=[O][Er]23([OH2])([OH2])([O]=C(C(F)(F)F)C=C(c4ccccc4)O2)(O1)OC(=CC(C(F)(F)F)=[O]3)c1ccccc1)(F)(F)F |
| Title of publication | NIR luminescence of a series of benzoyltrifluoroacetone erbium complexes |
| Authors of publication | Sun, Qingyan; Yan, Pengfei; Niu, Wanying; chu, wenyi; Yao, Xu; An, Guanghui; Li, Guangming |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 10.697 ± 0.005 Å |
| b | 13.011 ± 0.005 Å |
| c | 22.764 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 90 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 3168 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.027 |
| Residual factor for significantly intense reflections | 0.0244 |
| Weighted residual factors for significantly intense reflections | 0.0545 |
| Weighted residual factors for all reflections included in the refinement | 0.0558 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 152580 (current) | 2015-07-28 | cif/ Adding structures of 7221664, 7221665, 7221666, 7221667, 7221668 via cif-deposit CGI script. |
7221664.cif |
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Users of the data should acknowledge the original authors of the
structural data.