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Information card for entry 1513635
Preview
| Coordinates | 1513635.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H21 Co Li O6 |
|---|---|
| Calculated formula | C15 H21 Co Li O6 |
| SMILES | [Co]123([O]=C(C=C(O3)C)C)(OC(=CC(=[O]2)C)C)OC(=CC(=[O]1)C)C.[Li+] |
| Title of publication | Changing the bridging connectivity pattern within a heterometallic assembly: design of single-source precursors with discrete molecular structures |
| Authors of publication | Wei, Zheng; Han, Haixiang; Filatov, Alexander S.; Dikarev, Evgeny V. |
| Journal of publication | Chemical Science |
| Year of publication | 2014 |
| Journal volume | 5 |
| Journal issue | 2 |
| Pages of publication | 813 |
| a | 16.272 ± 0.003 Å |
| b | 16.272 ± 0.003 Å |
| c | 10.968 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2515 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0607 |
| Weighted residual factors for all reflections included in the refinement | 0.0615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1513635.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1513635.cif |
| 105092 | 2014-03-11 | cif/ Adding structures of 1513635, 1513636, 1513637, 1513638 via cif-deposit CGI script. |
1513635.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.