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Information card for entry 7226748
Preview
Coordinates | 7226748.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H20 Dy N8 Na O8 |
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Calculated formula | C24 H20 Dy N8 Na O8 |
SMILES | C1(=O)c2ccc(c[n]2[Dy]234(O1)([n]1c(C(=O)O2)ccc(c1)N)([n]1c(C(=O)O3)ccc(c1)N)[n]1c(C(=O)O4)ccc(c1)N)N.[Na+] |
Title of publication | Multifunctional applications of a dysprosium-based metal‒organic chain with single-ion magnet behaviour |
Authors of publication | Fernández, Belén; Oyarzabal, Itziar; Fischer-Fodor, Eva; Macavei, Sergiu; Sánchez, Ignacio; Seco, José M.; Gómez-Ruiz, Santiago; Rodríguez-Diéguez, Antonio |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 45 |
Pages of publication | 8718 |
a | 18.0441 ± 0.0008 Å |
b | 18.0441 ± 0.0008 Å |
c | 8.3135 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2706.8 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.0719 |
Residual factor for significantly intense reflections | 0.0459 |
Weighted residual factors for significantly intense reflections | 0.1205 |
Weighted residual factors for all reflections included in the refinement | 0.1508 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.231 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
190083 (current) | 2017-01-09 | cif/ Updating files of 7226748 Original log message: Adding full bibliography for 7226748.cif. |
7226748.cif |
187219 | 2016-10-08 | cif/ Adding structures of 7226748 via cif-deposit CGI script. |
7226748.cif |
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Users of the data should acknowledge the original authors of the
structural data.