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Information card for entry 7036901
Preview
| Coordinates | 7036901.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H63 Eu N5 O2 |
|---|---|
| Calculated formula | C44 H63 Eu N5 O2 |
| SMILES | [Eu]123([O](CC[O]1C)C)([N](=C(C)C=C(N2c1c(cccc1C)C)C)c1c(cccc1C)C)[N](=C(N3c1ccccc1)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 | 10.676 ± 0.002 Å |
| b | 16.511 ± 0.004 Å |
| c | 24.986 ± 0.006 Å |
| α | 90° |
| β | 93.886 ± 0.004° |
| γ | 90° |
| Cell volume | 4394.2 ± 1.7 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0845 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1298 |
| Weighted residual factors for all reflections included in the refinement | 0.1444 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71075 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. |
7036901.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. |
7036901.cif |
| 169401 | 2015-10-21 | cif/ Adding structures of 7036896, 7036897, 7036898, 7036899, 7036900, 7036901 via cif-deposit CGI script. |
7036901.cif |
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Users of the data should acknowledge the original authors of the
structural data.