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Information card for entry 4505475
Preview
| Coordinates | 4505475.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H28 Co2 N2 O14 |
|---|---|
| Calculated formula | C28 H28 Co2 N2 O14 |
| SMILES | c12ccccc2C(=O)O[Co]2([OH2])([O]1CC(=O)O2)([n]1ccc(c2cc[n](cc2)[Co]23([OH2])([OH2])OC(=O)c4c(cccc4)[O]2CC(=O)O3)cc1)[OH2] |
| Title of publication | Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid |
| Authors of publication | Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 3 |
| Pages of publication | 1201 |
| a | 9.7351 ± 0.001 Å |
| b | 23.513 ± 0.003 Å |
| c | 6.506 ± 0.0008 Å |
| α | 90° |
| β | 107.709 ± 0.007° |
| γ | 90° |
| Cell volume | 1418.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.069 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.0866 |
| Weighted residual factors for all reflections included in the refinement | 0.0933 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4505475.cif |
| 179589 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/54. |
4505475.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4505475.cif |
| 51772 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4505473, 4505474, 4505475, 4505476, 4505477, 4505478, 4505479, 4505480, 4505481 via cif-deposit CGI script. |
4505475.cif |
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