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Information card for entry 7216871
Preview
| Coordinates | 7216871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [Co(H2O)4(MeCN)2][NO3] |
|---|---|
| Formula | C2 H7 Co0.5 N2 O5 |
| Calculated formula | C2 H7 Co0.5 N2 O5 |
| Title of publication | Conversion of alkanenitriles to amidines and carboxylic acids mediated by a cobalt(II)–ketoxime system |
| Authors of publication | Kopylovich, Maximilian N.; Kukushkin, Vadim Yu.; Guedes da Silva, M. Fátima C.; Haukka, Matti; Fraústo da Silva, João J. R.; Pombeiro, Armando J. L. |
| Journal of publication | Journal of the Chemical Society, Perkin Transactions 1 |
| Year of publication | 2001 |
| Journal issue | 13 |
| Pages of publication | 1569 |
| a | 7.8179 ± 0.001 Å |
| b | 12.7715 ± 0.0008 Å |
| c | 7.9825 ± 0.0006 Å |
| α | 90° |
| β | 117.723 ± 0.009° |
| γ | 90° |
| Cell volume | 705.53 ± 0.13 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 | 0.0755 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1044 |
| Weighted residual factors for all reflections included in the refinement | 0.124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7216871.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7216871.cif |
| 118532 | 2014-06-30 | cif/ Adding structures of 7216868, 7216869, 7216870, 7216871 via cif-deposit CGI script. |
7216871.cif |
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Users of the data should acknowledge the original authors of the
structural data.