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Information card for entry 7040457
Preview
| Coordinates | 7040457.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H31 N8 O13 Tb |
|---|---|
| Calculated formula | C20 H31 N8 O13 Tb |
| SMILES | [Tb]1234([O]=C(CN(c5nnc(c6ccccc6)o5)CC(N(CC)CC)=[O]1)N(CC)CC)(ON(=O)=[O]2)([O]=N(=O)O3)([O]=N(O4)=O)[OH2] |
| Title of publication | A "turn-on" lanthanide complex chemosensor for recognition of lead(ii) based on the formation of nanoparticles. |
| Authors of publication | Xu, Benhua; Tang, Xiaoliang; Zhou, Ji'an; Chen, Wanmin; Liu, Haile; Ju, Zhenghua; Liu, Weisheng |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 47 |
| Pages of publication | 18859 - 18866 |
| a | 9.52 ± 0.005 Å |
| b | 12.602 ± 0.007 Å |
| c | 13.527 ± 0.007 Å |
| α | 105.942 ± 0.004° |
| β | 106.788 ± 0.004° |
| γ | 100.777 ± 0.004° |
| Cell volume | 1430 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0303 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0671 |
| Weighted residual factors for all reflections included in the refinement | 0.0698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7040457.cif |
| 190204 | 2017-01-09 | cif/ Updating files of 7040456, 7040457 Original log message: Adding full bibliography for 7040456--7040457.cif. |
7040457.cif |
| 185972 | 2016-08-24 | cif/ Adding structures of 7040456, 7040457 via cif-deposit CGI script. |
7040457.cif |
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Users of the data should acknowledge the original authors of the
structural data.