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Information card for entry 7001661
Preview
Coordinates | 7001661.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H86 Li N6 O3 Sm |
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Calculated formula | C56 H86 Li N6 O3 Sm |
SMILES | [Sm]12345(Oc6c(cc(cc6[C@H](N2c2cccc[n]2[Li]2[O]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)[C@@H](N4c1cccc[n]51)[N]2(C(C)C)C(C)C)[N]3(C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)[O]1CCCC1.[Sm]12345(Oc6c(cc(cc6[C@@H](N2c2cccc[n]2[Li]2[O]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)[C@H](N4c1cccc[n]51)[N]2(C(C)C)C(C)C)[N]3(C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)[O]1CCCC1 |
Title of publication | Migration of amide to imine group of lanthanide Schiff base complexes: effect of amido group |
Authors of publication | Qin, Duwei; Han, Fubin; Yao, Yingming; Zhang, Yong; Shen, Qi |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 28 |
Pages of publication | 5535 - 5541 |
a | 10.339 ± 0.0014 Å |
b | 24.566 ± 0.003 Å |
c | 21.831 ± 0.003 Å |
α | 90° |
β | 93.388 ± 0.002° |
γ | 90° |
Cell volume | 5535.1 ± 1.3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0747 |
Residual factor for significantly intense reflections | 0.0663 |
Weighted residual factors for significantly intense reflections | 0.1688 |
Weighted residual factors for all reflections included in the refinement | 0.1752 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 0.71075 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/7001661.html
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Users of the data should acknowledge the original authors of the
structural data.