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Information card for entry 7052804
Preview
| Coordinates | 7052804.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H108 Lu N9 O6 S4 |
|---|---|
| Calculated formula | C52 H108 Lu N9 O6 S4 |
| SMILES | C(=N[Lu]12(N=C=S)(ON(=[O]1)=O)(N=C=S)(N=C=S)ON(=[O]2)=O)=S.C(CCC)[N+](CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC |
| Title of publication | Crystal structure versus solution for two new lutetium thiocyanato complexes |
| Authors of publication | Lozano-Rodriguez, M. J.; Copping, R.; Petit, S.; Solari, P. L.; Guilbaud, P.; Mustre de Leon, J.; Den Auwer, C. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 12 |
| Pages of publication | 2755 |
| a | 24.921 ± 0.004 Å |
| b | 25.341 ± 0.004 Å |
| c | 41.507 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 26213 ± 7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 70 |
| Hermann-Mauguin space group symbol | F d d d :2 |
| Hall space group symbol | -F 2uv 2vw |
| Residual factor for all reflections | 0.0324 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0723 |
| Weighted residual factors for all reflections included in the refinement | 0.0761 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7052804.cif |
| 180082 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/28. |
7052804.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052804.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052804.cif |
| 31366 | 2011-12-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7052804, 7052805, 7052806 via cif-deposit CGI script. |
7052804.cif |
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