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Information card for entry 1556564
Preview
| Coordinates | 1556564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H50 Dy2 F36 N4 O12 S2 |
|---|---|
| Calculated formula | C72 H50 Dy2 F36 N4 O12 S2 |
| SMILES | c1cccc2[n]1[Dy]134([n]5c2ccc(c5)C2=CC5=C6CCCC6=C6[C@@](C)([C@@]5(C)S2)SC(=C6)c2c[n]5c(cc2)c2[n](cccc2)[Dy]2675([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]7)C(F)(F)F)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O6)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F.CCCCCCC.c1cccc2[n]1[Dy]134([n]5c2ccc(c5)C2=CC5=C6CCCC6=C6[C@](C)([C@]5(C)S2)SC(=C6)c2c[n]5c(cc2)c2[n](cccc2)[Dy]2675([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]7)C(F)(F)F)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O6)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F.CCCCCCC |
| Title of publication | Photo-Modulation of Single-Molecule Magnetic Dynamics of a Dysprosium Dinuclear Complex via a Diarylethene Bridge |
| Authors of publication | Cosquer, G.; Kamila, M.; Li, Z.-Y.; Breedlove, B.K.; Yamashita, M. |
| Journal of publication | Inorganics |
| Year of publication | 2018 |
| Journal volume | 6 |
| Pages of publication | 9 |
| a | 11.7047 ± 0.0003 Å |
| b | 19.6164 ± 0.0001 Å |
| c | 20.8522 ± 0.0002 Å |
| α | 71.022 ± 0.008° |
| β | 79.601 ± 0.009° |
| γ | 70.806 ± 0.007° |
| Cell volume | 4261.3 ± 0.3 Å3 |
| Cell temperature | 96.1 ± 0.2 K |
| Ambient diffraction temperature | 96.1 ± 0.2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0434 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245059 (current) | 2019-12-13 | cif/ Adding structures of 1556563, 1556564 via cif-deposit CGI script. |
1556564.cif |
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Users of the data should acknowledge the original authors of the
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