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Information card for entry 1550047
Preview
Coordinates | 1550047.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H70 B Dy F20 |
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Calculated formula | C64 H70 B Dy F20 |
SMILES | [Dy]12345678([c]9([c]4(C(C)C)[c]3(C(C)C)[c]2([c]19C(C)C)C(C)C)C(C)C)[c]1([c]5(C(C)C)[c]6(C(C)C)[c]7([c]18C(C)C)C(C)C)C(C)C.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
Title of publication | High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets. |
Authors of publication | Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G. |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 45 |
Pages of publication | 8492 - 8503 |
a | 15.2173 ± 0.0004 Å |
b | 22.8792 ± 0.0006 Å |
c | 16.8807 ± 0.0005 Å |
α | 90° |
β | 90.605 ± 0.001° |
γ | 90° |
Cell volume | 5876.9 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0732 |
Residual factor for significantly intense reflections | 0.065 |
Weighted residual factors for significantly intense reflections | 0.17 |
Weighted residual factors for all reflections included in the refinement | 0.1759 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.7288 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1550047.html
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.