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Information card for entry 7036897
Preview
| Coordinates | 7036897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H73 Eu N5 O2 |
|---|---|
| Calculated formula | C50 H73 Eu N5 O2 |
| SMILES | [Eu]12([O]3CCCC3)([O]3CCCC3)(N(C(=CC(=[N]1c1ccccc1)C)C)c1c(cccc1C(C)C)C(C)C)[N](=C(N2c1ccccc1)NC1CCCCC1)C1CCCCC1 |
| Title of publication | Catalytic addition of amines to carbodiimides by bis(β-diketiminate)lanthanide(ii) complexes and mechanistic studies. |
| Authors of publication | Xue, Mingqiang; Zheng, Yu; Hong, Yubiao; Yao, Yingming; Xu, Fan; Zhang, Yong; Shen, Qi |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 46 |
| Pages of publication | 20075 - 20086 |
| a | 11.394 ± 0.0004 Å |
| b | 12.9577 ± 0.0005 Å |
| c | 17.4485 ± 0.0004 Å |
| α | 95.366 ± 0.003° |
| β | 108.726 ± 0.003° |
| γ | 91.235 ± 0.003° |
| Cell volume | 2425.4 ± 0.15 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0239 |
| Residual factor for significantly intense reflections | 0.0221 |
| Weighted residual factors for significantly intense reflections | 0.0532 |
| Weighted residual factors for all reflections included in the refinement | 0.0542 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7036897.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7036897.cif |
| 171122 | 2015-12-09 | cif/ Updating files of 7036896, 7036897, 7036898, 7036899, 7036900, 7036901 Original log message: Adding full bibliography for 7036896--7036901.cif. |
7036897.cif |
| 169401 | 2015-10-21 | cif/ Adding structures of 7036896, 7036897, 7036898, 7036899, 7036900, 7036901 via cif-deposit CGI script. |
7036897.cif |
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Users of the data should acknowledge the original authors of the
structural data.