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Information card for entry 1515143
Preview
| Coordinates | 1515143.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C129.5 H133.5 Dy2 N10.5 O17.5 |
|---|---|
| Calculated formula | C129.5 H133.5 Dy2 N10.5 O17.5 |
| SMILES | [Dy]1234567Oc8c(OC)cccc8C=[N]6c6ccc(cc6)c6ccc(N=Cc8c9O[Dy]%10%11%12([O](c9ccc8)C)(Oc8c(C=[N]%11c9ccc(c%11ccc(N=Cc%13c(O1)c([O]2C)ccc%13)cc%11)cc9)cccc8OC)(Oc1c(C=Nc2ccc(c8ccc([N]7=Cc7c(O3)c(OC)ccc7)cc8)cc2)cccc1[O]%10C)Oc1c(C=[N]%12c2ccc(c3ccc(N=Cc7c(O4)c([O]5C)ccc7)cc3)cc2)cccc1OC)cc6.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.O=CN(C)C.O |
| Title of publication | Supramolecular architectures for controlling slow magnetic relaxation in field-induced single-molecule magnets |
| Authors of publication | Habib, Fatemah; Long, Jérôme; Lin, Po-Heng; Korobkov, Ilia; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Murugesu, Muralee |
| Journal of publication | Chemical Science |
| Year of publication | 2012 |
| Journal volume | 3 |
| Journal issue | 6 |
| Pages of publication | 2158 |
| a | 14.3544 ± 0.0008 Å |
| b | 18.9741 ± 0.001 Å |
| c | 23.049 ± 0.0012 Å |
| α | 86.019 ± 0.003° |
| β | 81.988 ± 0.003° |
| γ | 79.315 ± 0.002° |
| Cell volume | 6102.5 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1355 |
| Residual factor for significantly intense reflections | 0.0805 |
| Weighted residual factors for significantly intense reflections | 0.1588 |
| Weighted residual factors for all reflections included in the refinement | 0.1881 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1515143.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1515143.cif |
| 110879 | 2014-04-20 | cif/ Adding structures of 1515142, 1515143, 1515144 via cif-deposit CGI script. |
1515143.cif |
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Users of the data should acknowledge the original authors of the
structural data.