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Information card for entry 4342868
Preview
| Coordinates | 4342868.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H56 Cl4 Er N7 O11 |
|---|---|
| Calculated formula | C62 H56 Cl4 Er N7 O11 |
| SMILES | N(=O)(=O)[O-].c12cc(cc3c2O[Er]245678[N](=Cc9c(c(cc(c9)Cl)CN(Cc9c(O8)c(C=[N]5c5c([N]2=Cc2c(c(cc(c2)Cl)CN(C3)CCc2ccc(O)cc2)[OH]7)cccc5)cc(c9)Cl)CCc2ccc(O)cc2)[OH]6)c2c([N]4=C1)cccc2)Cl.CO.OC |
| Title of publication | Construction of Identical [2 + 2] Schiff-Base Macrocyclic Ligands by Ln(III) and Zn(II) Template Ions Including Efficient Yb(III) Near-Infrared Sensitizers. |
| Authors of publication | Zhang, Kun; Zhang, Lei; Zhang, Song; Hu, Yong; Zheng, Youxuan; Huang, Wei |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 11 |
| Pages of publication | 5295 - 5300 |
| a | 18.705 ± 0.003 Å |
| b | 14.048 ± 0.002 Å |
| c | 23.527 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6182.1 ± 1.7 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A e a 2 |
| Hall space group symbol | A 2 -2ab |
| Residual factor for all reflections | 0.0845 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.0754 |
| Weighted residual factors for all reflections included in the refinement | 0.0886 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264242 (current) | 2021-04-16 | cif/4 Fixing some Z values and formulae |
4342868.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4342868.cif |
| 138135 | 2015-06-05 | cif/ Updating files of 4342868, 4342869, 4342870, 4342871, 4342872, 4342873 Original log message: Adding full bibliography for 4342868--4342873.cif. |
4342868.cif |
| 136720 | 2015-05-18 | cif/ Adding structures of 4342868, 4342869, 4342870, 4342871, 4342872, 4342873 via cif-deposit CGI script. |
4342868.cif |
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Users of the data should acknowledge the original authors of the
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