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Information card for entry 1515142
Preview
| Coordinates | 1515142.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C104.75 H113.5 Dy2 N10 O16.25 |
|---|---|
| Calculated formula | C104.75 H113.5 Dy2 N10 O16.25 |
| SMILES | CC(=O)C.CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.COc1cccc2c1O[Dy]134567Oc8c([O]5C)cccc8/C=N/c5ccc(cc5)[N]5=Cc8cccc(c8O[Dy]89%105([N](=Cc5c(O%10)c(OC)ccc5)c5ccc(/N=C/c%10c(O1)c([O]4C)ccc%10)cc5)(Oc1c(/C=N/c4ccc([N]6=C2)cc4)cccc1[O]8C)Oc1c(/C=N/c2ccc([N]7=Cc4c(O3)c(OC)ccc4)cc2)cccc1[O]9C)OC |
| 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 | 21.5894 ± 0.0008 Å |
| b | 20.9227 ± 0.0009 Å |
| c | 23.8146 ± 0.0009 Å |
| α | 90° |
| β | 109.321 ± 0.002° |
| γ | 90° |
| Cell volume | 10151.4 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0704 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1134 |
| Weighted residual factors for all reflections included in the refinement | 0.1296 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 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. |
1515142.cif |
| 110879 | 2014-04-20 | cif/ Adding structures of 1515142, 1515143, 1515144 via cif-deposit CGI script. |
1515142.cif |
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Users of the data should acknowledge the original authors of the
structural data.