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Information card for entry 1513636
Preview
| Coordinates | 1513636.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H78 Co2 Li2 O18 |
|---|---|
| Calculated formula | C48 H78 Co2 Li2 O18 |
| SMILES | [Co]123([O]4([Co]56([O]=C(C=C([O]67)C)OC(C)(C)C)([O]26C(=CC(=[O][Li]672)OC(C)(C)C)C)[O]6C(C)=CC(=[O]5)OC(C)(C)C)C(=CC(=[O][Li]465)OC(C)(C)C)C)([O]=C(C=C([O]12)C)OC(C)(C)C)[O]5C(C)=CC(=[O]3)OC(C)(C)C |
| 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 | 11.333 ± 0.002 Å |
| b | 12.275 ± 0.002 Å |
| c | 12.46 ± 0.002 Å |
| α | 104.286 ± 0.002° |
| β | 107.918 ± 0.002° |
| γ | 110.038 ± 0.002° |
| Cell volume | 1424.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.055 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1439 |
| Weighted residual factors for all reflections included in the refinement | 0.1486 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| 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. |
1513636.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1513636.cif |
| 105092 | 2014-03-11 | cif/ Adding structures of 1513635, 1513636, 1513637, 1513638 via cif-deposit CGI script. |
1513636.cif |
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Users of the data should acknowledge the original authors of the
structural data.