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Information card for entry 7030057
Preview
| Coordinates | 7030057.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H19 Br N4 O4 |
|---|---|
| Calculated formula | C26 H19 Br N4 O4 |
| SMILES | [Br-].c1c(N(=O)=O)c2cccc3c2c(C(=O)N(C3=O)c2ccc[n+](c2)Cc2ccccc2)c1.N#CC |
| Title of publication | Synthesis, crystal structure and EPR spectroscopic analysis of novel copper complexes formed from N-pyridyl-4-nitro-1,8-naphthalimide ligands. |
| Authors of publication | Kitchen, Jonathan A.; Martinho, Paulo N.; Morgan, Grace G.; Gunnlaugsson, Thorfinnur |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 17 |
| Pages of publication | 6468 - 6479 |
| a | 7.2517 ± 0.0015 Å |
| b | 25.162 ± 0.005 Å |
| c | 12.801 ± 0.003 Å |
| α | 90° |
| β | 102.23 ± 0.03° |
| γ | 90° |
| Cell volume | 2282.8 ± 0.9 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1003 |
| Residual factor for significantly intense reflections | 0.0885 |
| Weighted residual factors for significantly intense reflections | 0.2217 |
| Weighted residual factors for all reflections included in the refinement | 0.2315 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7030057.cif |
| 180006 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/00. |
7030057.cif |
| 111166 | 2014-04-20 | cif/ Adding structures of 7030054, 7030055, 7030056, 7030057, 7030058, 7030059 via cif-deposit CGI script. |
7030057.cif |
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Users of the data should acknowledge the original authors of the
structural data.