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Information card for entry 1551815
Preview
| Coordinates | 1551815.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H26 Br2 Co N4 O4 |
|---|---|
| Calculated formula | C30 H26 Br2 Co N4 O4 |
| SMILES | c12c(cc(cc1C=O)Br)C[N]13[Co]45([n]6ccccc6C[N]4(Cc4c(c(cc(c4)Br)C=O)O5)CC3)(O2)[n]2ccccc2C1 |
| Title of publication | Crystal and Molecular Structure of Co(II) Complex with N,N′-Bis(pyridine-2-ylmethyl)-N,N′-bis(5-bromo-3-formyl-2-hydroxybenzyl)-1,2-diamine Ligand |
| Authors of publication | GOLCHOUBIAN, Hamid; GHOLAMNEZHAD, Parisa |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2009 |
| Journal volume | 25 |
| Pages of publication | 95 |
| a | 17.6158 ± 0.0013 Å |
| b | 9.2327 ± 0.0007 Å |
| c | 17.6983 ± 0.0013 Å |
| α | 90° |
| β | 102.771 ± 0.002° |
| γ | 90° |
| Cell volume | 2807.3 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0557 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0605 |
| Weighted residual factors for all reflections included in the refinement | 0.0648 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1551815.cif |
| 216428 | 2019-06-20 | cif/ Adding structures of 1551815 via cif-deposit CGI script. |
1551815.cif |
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Users of the data should acknowledge the original authors of the
structural data.