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Information card for entry 7029368
Preview
| Coordinates | 7029368.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H13 Co N12 |
|---|---|
| Calculated formula | C12 H13 Co N12 |
| SMILES | [Co]12([NH](Cc3[n]2cccc3)Cc2[n]1cccc2)(N=N#N)(N=N#N)N=N#N |
| Title of publication | Methylene bridge regulated geometrical preferences of ligands in cobalt(iii) coordination chemistry and phenoxazinone synthase mimicking activity. |
| Authors of publication | Panja, Anangamohan; Shyamal, Milan; Saha, Amrita; Mandal, Tarun Kanti |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 14 |
| Pages of publication | 5443 - 5452 |
| a | 11.59 ± 0.003 Å |
| b | 17.073 ± 0.005 Å |
| c | 17.299 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 108.696 ± 0.004° |
| γ | 90 ± 0.005° |
| Cell volume | 3242.4 ± 1.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1172 |
| Residual factor for significantly intense reflections | 0.0922 |
| Weighted residual factors for significantly intense reflections | 0.228 |
| Weighted residual factors for all reflections included in the refinement | 0.246 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7029368.cif |
| 179999 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/93. |
7029368.cif |
| 107135 | 2014-03-18 | cif/ Adding structures of 7029368, 7029369 via cif-deposit CGI script. |
7029368.cif |
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Users of the data should acknowledge the original authors of the
structural data.