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Information card for entry 7220616
Preview
| Coordinates | 7220616.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H23 Dy N6 O9 S |
|---|---|
| Calculated formula | C18 H23 Dy N6 O9 S |
| SMILES | c12cccc3c1[n]1c(cc3)C=[N]3CCc4c[nH]c[n]4[Dy]4513(ON(=[O]5)=O)(ON(=[O]4)=O)([O]=S(C)C)O2.CO |
| Title of publication | Anion-dependent assembly of Dy complexes: structures and magnetic behaviors |
| Authors of publication | Chen, Peng; Zhang, Meiqi; Sun, Wenbin; Li, Hongfeng; Zhao, Lang; Yan, Pengfei |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 27 |
| Pages of publication | 5066 |
| a | 9.421 ± 0.002 Å |
| b | 10.2707 ± 0.0017 Å |
| c | 12.909 ± 0.002 Å |
| α | 85.595 ± 0.014° |
| β | 87.715 ± 0.016° |
| γ | 76.894 ± 0.016° |
| Cell volume | 1212.6 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0386 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0868 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7220616.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. |
7220616.cif |
| 143434 | 2015-07-10 | cif/ Updating files of 7220611, 7220612, 7220613, 7220614, 7220615, 7220616, 7220617, 7220618 Original log message: Adding full bibliography for 7220611--7220618.cif. |
7220616.cif |
| 137642 | 2015-06-02 | cif/ Adding structures of 7220611, 7220612, 7220613, 7220614, 7220615, 7220616, 7220617, 7220618 via cif-deposit CGI script. |
7220616.cif |
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Users of the data should acknowledge the original authors of the
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