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Information card for entry 4118231
Preview
| Coordinates | 4118231.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H34 Co2 N8 O4 |
|---|---|
| Calculated formula | C26 H34 Co2 N8 O4 |
| SMILES | C12=CC=CC=CC1=[N]1CCCCCC[N]3=C4C=CC=CC=C4N(CCCCCCN2[Co]1(N=O)N=O)[Co]3(N=O)N=O |
| Title of publication | Influence of Tetraazamacrocyclic Ligands on the Nitric Oxide Reactivity of their Cobalt(II) Complexes |
| Authors of publication | Julia Kozhukh; Stephen J. Lippard |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2012 |
| Journal volume | 134 |
| Pages of publication | 11120 - 11123 |
| a | 7.9786 ± 0.0007 Å |
| b | 12.0151 ± 0.0011 Å |
| c | 14.8237 ± 0.0013 Å |
| α | 90° |
| β | 104.233 ± 0.001° |
| γ | 90° |
| Cell volume | 1377.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0275 |
| Residual factor for significantly intense reflections | 0.0231 |
| Weighted residual factors for significantly intense reflections | 0.0595 |
| Weighted residual factors for all reflections included in the refinement | 0.0622 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4118231.cif |
| 178953 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/82. |
4118231.cif |
| 75754 | 2013-03-13 | cif/ Adding structures of 4118231 via cif-deposit CGI script. |
4118231.cif |
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Users of the data should acknowledge the original authors of the
structural data.