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Information card for entry 1515144
Preview
| Coordinates | 1515144.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C144.5 H165 Dy2 N10 O19.5 |
|---|---|
| Calculated formula | C144.5 H165 Dy2 N10 O19.5 |
| SMILES | [Dy]1234567[N](=Cc8c(O4)c(OC)ccc8)c4ccc(cc4)Cc4ccc(N=Cc8c9O[Dy]%10%11%12([N](c%13ccc(Cc%14ccc(N=Cc%15c(O2)c([O]3C)ccc%15)cc%14)cc%13)=Cc2c(O%10)c(OC)ccc2)([N](=Cc2c(O%11)c(OC)ccc2)c2ccc(Cc3ccc(N=Cc%10c(O5)c([O]6C)ccc%10)cc3)cc2)([O](c9ccc8)C)Oc2c(C=Nc3ccc(Cc5ccc([N]1=Cc1c(O7)c(OC)ccc1)cc5)cc3)cccc2[O]%12C)cc4.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.CCOCC.CCOCC.O=C(C)C.O=C(C)C |
| 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 | 11.784 ± 0.0015 Å |
| b | 22.87 ± 0.003 Å |
| c | 52.23 ± 0.006 Å |
| α | 90° |
| β | 95.811 ± 0.006° |
| γ | 90° |
| Cell volume | 14004 ± 3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0877 |
| Residual factor for significantly intense reflections | 0.0763 |
| Weighted residual factors for significantly intense reflections | 0.1893 |
| Weighted residual factors for all reflections included in the refinement | 0.1963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1515144.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. |
1515144.cif |
| 110879 | 2014-04-20 | cif/ Adding structures of 1515142, 1515143, 1515144 via cif-deposit CGI script. |
1515144.cif |
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Users of the data should acknowledge the original authors of the
structural data.