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Information card for entry 2234020
Preview
Coordinates | 2234020.cif |
---|---|
Structure factors | 2234020.hkl |
Original IUCr paper | HTML |
Chemical name | Trichloridotris{<i>N</i>-[phenyl(pyridin-2-yl)methylidene]hydroxylamine- κ^2^<i>N</i>,<i>N</i>'}samarium(III) |
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Formula | C36 H30 Cl3 N6 O3 Sm |
Calculated formula | C36 H30 Cl3 N6 O3 Sm |
SMILES | [Sm]123(Cl)(Cl)(Cl)([n]4c(C(=[N]1O)c1ccccc1)cccc4)([N](O)=C(c1ccccc1)c1[n]2cccc1)[N](O)=C(c1ccccc1)c1[n]3cccc1 |
Title of publication | Trichloridotris{<i>N</i>-[phenyl(pyridin-2-yl)methylidene]hydroxylamine-κ^2^<i>N</i>,<i>N</i>'}samarium(III) |
Authors of publication | Lei, Tao; Chen, Wenqian; Chen, Yanmei; Hu, Bin; Li, Yahong |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 3 |
Pages of publication | m344 - m345 |
a | 8.6415 ± 0.0017 Å |
b | 10.422 ± 0.002 Å |
c | 19.771 ± 0.004 Å |
α | 92.18 ± 0.03° |
β | 94.47 ± 0.03° |
γ | 92.62 ± 0.03° |
Cell volume | 1771.8 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0331 |
Residual factor for significantly intense reflections | 0.0289 |
Weighted residual factors for significantly intense reflections | 0.0635 |
Weighted residual factors for all reflections included in the refinement | 0.068 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2234020.html
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Users of the data should acknowledge the original authors of the
structural data.