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Information card for entry 7021458
Preview
| Coordinates | 7021458.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H84 Cl4 Gd2 N14 O28 |
|---|---|
| Calculated formula | C72 H84 Cl4 Gd2 N14 O28 |
| SMILES | c1(ccccc1/C=[NH+]/CCC/[NH+]=C/c1c([O-])cccc1)O[Gd]1234(Oc5ccccc5/C=[NH+]/CCC/[NH+]=C/c5ccccc5O[Gd]567(Oc8ccccc8/C=[NH+]/CCC/[NH+]=C/c8ccccc8[O-])(Oc8ccccc8/C=[NH+]/CCC/[NH+]=Cc8ccccc8O4)([O]=N(=O)O5)([O]=N(=O)O6)ON(=O)=[O]7)([O]=N(=O)O1)([O]=N(=O)O2)ON(=O)=[O]3.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 | 10.948 ± 0.004 Å |
| b | 10.978 ± 0.003 Å |
| c | 18.649 ± 0.008 Å |
| α | 91.97 ± 0.014° |
| β | 106.73 ± 0.014° |
| γ | 92.56 ± 0.012° |
| Cell volume | 2141.7 ± 1.4 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 | 0.0702 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179919 (current) | 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. |
7021458.cif |
| 86946 | 2013-07-12 | cif/ Adding structures of 7021452, 7021453, 7021454, 7021455, 7021456, 7021457, 7021458 via cif-deposit CGI script. |
7021458.cif |
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Users of the data should acknowledge the original authors of the
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