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Information card for entry 4502737
Preview
| Coordinates | 4502737.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H28 Co2 N2 O18 |
|---|---|
| Calculated formula | C16 H12 Co2 N2 O18 |
| SMILES | [Co]12(OC(=O)CC(=[O]1)O[Co]([O]=n1ccc(cc1)c1ccn(=O)cc1)([OH2])([OH2])([OH2])[OH2])(OC(=O)CC(=O)O2)([OH2])[OH2].O.O |
| Title of publication | Novel Malonate-Containing Coordination Compounds with Ligands Having N- and NO-Donors: Synthesis, Structures, and Magnetic Properties |
| Authors of publication | Delgado, Fernando S.; Jiménez, Claudio A.; Lorenzo-Luis, Pablo; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Lloret, Frances; Julve, Miguel; Ruiz-Pérez, Catalina |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 2 |
| Pages of publication | 599 |
| a | 7.308 ± 0.003 Å |
| b | 32.068 ± 0.007 Å |
| c | 10.378 ± 0.002 Å |
| α | 90° |
| β | 93.66 ± 0.02° |
| γ | 90° |
| Cell volume | 2427.2 ± 1.2 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1934 |
| Residual factor for significantly intense reflections | 0.0744 |
| Weighted residual factors for significantly intense reflections | 0.122 |
| Weighted residual factors for all reflections included in the refinement | 0.1506 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mokα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179558 (current) | 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 4/50/27. |
4502737.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4502737.cif |
| 37738 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4502737 via cif-deposit CGI script. |
4502737.cif |
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