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Information card for entry 4328287
Preview
Coordinates | 4328287.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H48 Dy4 N24 O18 |
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Calculated formula | C52 H48 Dy4 N24 O18 |
SMILES | n12[n]3c4nc1c1[n](cccc1)[Dy]15672(ON(=O)=O)n2c(c8cccc[n]18)nc1c8cccc[n]8[Dy]83([n]21)([OH]5[Dy]1235(n9c(c%10cccc[n]1%10)nc1c%10cccc[n]%10[Dy]%10([n]91)([n]1n2c(nc1c1cccc[n]1%10)c1[n]3cccc1)([OH]65)([OH]7)(ON(=O)=O)[OH]CC)([OH]8)ON(=O)=O)(ON(=O)=O)([OH]CC)[n]1c4cccc1 |
Title of publication | The First {Dy4} Single-Molecule Magnet with a Toroidal Magnetic Moment in the Ground State |
Authors of publication | Peng-Hu Guo; Jun-Liang Liu; Ze-Min Zhang; Liviu Ungur; Liviu F. Chibotaru; Ji-Dong Leng; Fu-Sheng Guo; Ming-Liang Tong |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 1233 - 1235 |
a | 12.7886 ± 0.0007 Å |
b | 10.9248 ± 0.0006 Å |
c | 23.734 ± 0.0012 Å |
α | 90° |
β | 104.032 ± 0.001° |
γ | 90° |
Cell volume | 3217 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0491 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.0835 |
Weighted residual factors for all reflections included in the refinement | 0.0884 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4328287.html
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Users of the data should acknowledge the original authors of the
structural data.