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Information card for entry 7119805
Preview
Coordinates | 7119805.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H28 Cl2 Eu F9 N2 O6 S10 |
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Calculated formula | C45 H28 Cl2 Eu F9 N2 O6 S10 |
SMILES | CSC1=C(SC)SC(S1)=C1SC=C(c2c[n]3c(cc2)c2[n](c4c(cccc4)s2)[Eu]2453(OC(=CC(c3cccs3)=[O]2)C(F)(F)F)(OC(=CC(c2cccs2)=[O]4)C(F)(F)F)[O]=C(C(F)(F)F)C=C(c2cccs2)O5)S1.C(Cl)Cl |
Title of publication | Isotopically enriched polymorphs of dysprosium single molecule magnets. |
Authors of publication | Kishi, Y.; Pointillart, F.; Lefeuvre, B.; Riobé, F; Le Guennic, B.; Golhen, S.; Cador, O.; Maury, O.; Fujiwara, H.; Ouahab, L. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2017 |
Journal volume | 53 |
Journal issue | 25 |
Pages of publication | 3575 - 3578 |
a | 11.7393 ± 0.0007 Å |
b | 14.6701 ± 0.0009 Å |
c | 17.5396 ± 0.0009 Å |
α | 98.076 ± 0.003° |
β | 101.888 ± 0.003° |
γ | 113.182 ± 0.002° |
Cell volume | 2633.4 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1764 |
Residual factor for significantly intense reflections | 0.0907 |
Weighted residual factors for significantly intense reflections | 0.2306 |
Weighted residual factors for all reflections included in the refinement | 0.303 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.948 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7119805.html
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Users of the data should acknowledge the original authors of the
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