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Information card for entry 7001661
Preview
| Coordinates | 7001661.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H86 Li N6 O3 Sm |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7001661.cif |
| 179714 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/16. |
7001661.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001661.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001661.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001661.cif |
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