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Information card for entry 7019470
Preview
| Coordinates | 7019470.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C116 H110 Ce2 Li4 O18 |
|---|---|
| Calculated formula | C116 H110 Ce2 Li4 O18 |
| SMILES | [Ce]123([O]([Li]4([O]1c1ccc5ccccc5c1)[O](CC[O]4C)C)c1ccc4ccccc4c1)([O](c1ccc4ccccc4c1)[Ce]14([O]([Li]5([O]1c1ccc6ccccc6c1)[O](CC[O]5C)C)c1ccc5ccccc5c1)([O]3c1ccc3ccccc3c1)[O]([Li]1([O]4c3ccc4ccccc4c3)[O](CC[O]1C)C)c1ccc3ccccc3c1)[O]([Li]1([O]2c2ccc3ccccc3c2)[O](CC[O]1C)C)c1ccc2ccccc2c1 |
| Title of publication | Lanthanide(iii) 2-naphthoxide complexes stabilized by interligand non-covalent interactions. |
| Authors of publication | Levin, Jessica R.; Gu, Jun; Carroll, Patrick J.; Schelter, Eric J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 26 |
| Pages of publication | 7870 - 7872 |
| a | 11.7345 ± 0.0007 Å |
| b | 15.183 ± 0.0009 Å |
| c | 16.605 ± 0.0009 Å |
| α | 82.26 ± 0.003° |
| β | 74.755 ± 0.003° |
| γ | 87.099 ± 0.003° |
| Cell volume | 2828 ± 0.3 Å3 |
| Cell temperature | 143 ± 1 K |
| Ambient diffraction temperature | 143 ± 1 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 | 0.0324 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0673 |
| Weighted residual factors for all reflections included in the refinement | 0.0694 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7019470.cif |
| 179898 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/94. |
7019470.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019470.cif |
| 62879 | 2012-07-09 | cif/ Adding structures of 7019469, 7019470, 7019471 via cif-deposit CGI script. |
7019470.cif |
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