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Information card for entry 1516270
Preview
Coordinates | 1516270.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | compound 1Dy |
---|---|
Formula | C86 H82 Dy N19 O2 |
Calculated formula | C86 H82 Dy N19 O2 |
SMILES | c1ccc2c(c1)c1N=c3c4ccccc4c4[n]3[Dy]35678(n1c2N=c1[n]3c(N=c2n5c(=N4)c3c2cccc3)c2c1cccc2)n1c2N=c3[n]8c(N=c4n7c(=Nc5[n]6c(=Nc1c1c2cccc1)c1c5cccc1)c1c4cccc1)c1c3cccc1.O=CN(C)C.O=CN(C)C.CCCC[N+](CCCC)(CCCC)CCCC |
Title of publication | Spectroscopic determination of crystal field splittings in lanthanide double deckers |
Authors of publication | Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J. |
Journal of publication | Chemical Science |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 8 |
Pages of publication | 3287 |
a | 11.6002 ± 0.0006 Å |
b | 15.3265 ± 0.0008 Å |
c | 22.3436 ± 0.0012 Å |
α | 92.48 ± 0.003° |
β | 95.186 ± 0.002° |
γ | 109.408 ± 0.002° |
Cell volume | 3720 ± 0.3 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0358 |
Residual factor for significantly intense reflections | 0.0286 |
Weighted residual factors for significantly intense reflections | 0.0644 |
Weighted residual factors for all reflections included in the refinement | 0.0675 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1516270.html
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Users of the data should acknowledge the original authors of the
structural data.