Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7028620
Preview
| Coordinates | 7028620.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H36 Dy2 N10 O22 |
|---|---|
| Calculated formula | C40 H36 Dy2 N10 O22 |
| SMILES | c1(ccc2cccc(c2[nH+]1)O[Dy]1234([O]=N(=O)O1)([O](c1cccc5ccc([nH+]c15)C)[Dy]156(Oc7cccc8ccc([nH+]c78)C)([O]2c2cccc7ccc([nH+]c27)C)(ON(=[O]1)=O)(ON(=[O]5)=O)ON(=[O]6)=O)(ON(=[O]3)=O)ON(=[O]4)=O)C |
| Title of publication | Anion effects on the structures and magnetic properties of binuclear lanthanide single-molecule magnets. |
| Authors of publication | Yang, Fen; Zhou, Qi; Zeng, Guang; Li, Guanghua; Gao, Lu; Shi, Zhan; Feng, Shouhua |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 3 |
| Pages of publication | 1238 - 1245 |
| a | 10.6892 ± 0.0006 Å |
| b | 18.205 ± 0.001 Å |
| c | 12.5195 ± 0.0009 Å |
| α | 90° |
| β | 109.661 ± 0.003° |
| γ | 90° |
| Cell volume | 2294.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0831 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.058 |
| Weighted residual factors for all reflections included in the refinement | 0.0642 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.825 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7028620.cif |
| 179992 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/86. |
7028620.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7028620.cif |
| 105378 | 2014-03-12 | cif/ Adding structures of 7028620, 7028621, 7028622, 7028623 via cif-deposit CGI script. |
7028620.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.