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Information card for entry 7039578
Preview
| Coordinates | 7039578.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H36 Cl Co N4 O7 |
|---|---|
| Calculated formula | C23 H36 Cl Co N4 O7 |
| SMILES | [Co]1([NH](CC[NH]1Cc1c(cc(cc1C)C)C)Cc1c(cc(cc1C)C)C)(N=O)N=O.Cl(=O)(=O)(=O)[O-].OC |
| Title of publication | Effect of ligand denticity on the nitric oxide reactivity of cobalt(ii) complexes. |
| Authors of publication | Deka, Hemanta; Ghosh, Somnath; Saha, Soumen; Gogoi, Kuldeep; Mondal, Biplab |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 27 |
| Pages of publication | 10979 - 10988 |
| a | 9.0274 ± 0.0008 Å |
| b | 12.0143 ± 0.001 Å |
| c | 14.0393 ± 0.001 Å |
| α | 70.559 ± 0.007° |
| β | 76.564 ± 0.007° |
| γ | 87.579 ± 0.007° |
| Cell volume | 1395.5 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0796 |
| Residual factor for significantly intense reflections | 0.0615 |
| Weighted residual factors for significantly intense reflections | 0.1676 |
| Weighted residual factors for all reflections included in the refinement | 0.1861 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.188 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7039578.cif |
| 185403 | 2016-08-07 | cif/ Updating files of 7039575, 7039576, 7039577, 7039578, 7039579, 7039580 Original log message: Adding full bibliography for 7039575--7039580.cif. |
7039578.cif |
| 183660 | 2016-06-17 | cif/ Adding structures of 7039575, 7039576, 7039577, 7039578, 7039579, 7039580 via cif-deposit CGI script. |
7039578.cif |
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Users of the data should acknowledge the original authors of the
structural data.