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Information card for entry 7220618
Preview
| Coordinates | 7220618.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30.5 H28 Cl Dy N8 O6.5 |
|---|---|
| Calculated formula | C30.5 H28 Cl Dy N8 O6.5 |
| SMILES | [Dy]123456([n]7c(ccc8c7c(ccc8)O6)C=[N]1CCc1c[nH]c[n]21)[n]1c(ccc2cccc(c12)O5)C=[N]3CCc1c[nH]c[n]41.CO.Cl(=O)(=O)(=O)[O-] |
| 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 | 18.114 ± 0.0003 Å |
| b | 15.7015 ± 0.0002 Å |
| c | 22.3234 ± 0.0003 Å |
| α | 90° |
| β | 97.683 ± 0.002° |
| γ | 90° |
| Cell volume | 6292.16 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0553 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0744 |
| Weighted residual factors for all reflections included in the refinement | 0.0826 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| 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. |
7220618.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7220618.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. |
7220618.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. |
7220618.cif |
| 137642 | 2015-06-02 | cif/ Adding structures of 7220611, 7220612, 7220613, 7220614, 7220615, 7220616, 7220617, 7220618 via cif-deposit CGI script. |
7220618.cif |
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Users of the data should acknowledge the original authors of the
structural data.