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Information card for entry 7234376
Preview
| Coordinates | 7234376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [NiL26a] |
|---|---|
| Formula | C26 H24 N4 Ni O6 |
| Calculated formula | C26 H24 N4 Ni O6 |
| SMILES | C1(=C(C=[N]2c3cc4c(cc3[N]3=CC(=C(C)O[Ni]23O1)C(=O)OCC)nc1c(cccc1)n4)C(=O)OCC)C |
| Title of publication | Modulation of the ligand-based fluorescence of 3d metal complexes upon spin state change |
| Authors of publication | Charles Lochenie; Kristina G. Wagner; Matthias Karg; Birgit Weber |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 7925 - 7935 |
| a | 4.084 ± 0.001 Å |
| b | 12.918 ± 0.003 Å |
| c | 22.854 ± 0.006 Å |
| α | 101.906 ± 0.019° |
| β | 91.824 ± 0.02° |
| γ | 93.995 ± 0.02° |
| Cell volume | 1175.6 ± 0.5 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1498 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.072 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.68 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234376.cif |
| 219095 | 2019-10-04 | cif/ Adding structures of 7234376, 7234377 via cif-deposit CGI script. |
7234376.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.