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Information card for entry 7021457
Preview
| Coordinates | 7021457.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C72 H84 Cl4 Eu2 N14 O28 |
|---|---|
| Calculated formula | C72 H84 Cl4 Eu2 N14 O28 |
| SMILES | c12ccccc1/C=[NH+]/CCC/[NH+]=Cc1ccccc1O[Eu]134(ON(=[O]1)=O)(ON(=[O]4)=O)([O]=N(=O)O3)(Oc1ccccc1/C=[NH+]/CCC/[NH+]=Cc1ccccc1O[Eu]134(ON(=[O]1)=O)(ON(=[O]4)=O)(ON(=O)=[O]3)(O2)Oc1ccccc1/C=[NH+]/CCC/N=C/c1c(O)cccc1)Oc1ccccc1/C=[NH+]/CCC/N=C/c1ccccc1O.C(Cl)Cl.OC.C(Cl)Cl.CO |
| Title of publication | Systematic study on the structures of salen type lanthanide complexes tuned by lanthanide contraction and corresponding luminescence. |
| Authors of publication | Zou, Xiaoyan; Li, Mingjie; Yan, Pengfei; Zhang, Juwen; Hou, Guangfeng; Li, Guangming |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 26 |
| Pages of publication | 9482 - 9489 |
| a | 10.959 ± 0.002 Å |
| b | 10.986 ± 0.002 Å |
| c | 18.638 ± 0.004 Å |
| α | 91.99 ± 0.03° |
| β | 106.84 ± 0.03° |
| γ | 92.56 ± 0.03° |
| Cell volume | 2142.9 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0636 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1039 |
| Weighted residual factors for all reflections included in the refinement | 0.1125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7021457.cif |
| 179919 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/14. |
7021457.cif |
| 86946 | 2013-07-12 | cif/ Adding structures of 7021452, 7021453, 7021454, 7021455, 7021456, 7021457, 7021458 via cif-deposit CGI script. |
7021457.cif |
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