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Information card for entry 4123532
Preview
| Coordinates | 4123532.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (12-TMC) cobalt(III) nitroxyl perchlorate |
|---|---|
| Formula | C12 H28 Cl2 Co N5 O9 |
| Calculated formula | C12 H28 Cl2 Co N5 O9 |
| Title of publication | Reactions of Co(III)-Nitrosyl Complexes with Superoxide and Their Mechanistic Insights. |
| Authors of publication | Kumar, Pankaj; Lee, Yong-Min; Park, Young Jun; Siegler, Maxime A.; Karlin, Kenneth D.; Nam, Wonwoo |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 13 |
| Pages of publication | 4284 - 4287 |
| a | 9.0049 ± 0.0003 Å |
| b | 12.5151 ± 0.0003 Å |
| c | 18.9162 ± 0.0005 Å |
| α | 90° |
| β | 90.136 ± 0.003° |
| γ | 90° |
| Cell volume | 2131.8 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0247 |
| Residual factor for significantly intense reflections | 0.0244 |
| Weighted residual factors for significantly intense reflections | 0.0637 |
| Weighted residual factors for all reflections included in the refinement | 0.0639 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4123532.cif |
| 179037 | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/35. |
4123532.cif |
| 138200 | 2015-06-05 | cif/ Updating files of 4123530, 4123531, 4123532, 4123533 Original log message: Adding full bibliography for 4123530--4123533.cif. |
4123532.cif |
| 134384 | 2015-03-26 | cif/ Adding structures of 4123532 via cif-deposit CGI script. |
4123532.cif |
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Users of the data should acknowledge the original authors of the
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