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Information card for entry 3000570
Preview
No preview available: structure is on hold until 2025-06-19
| Coordinates | Coordinates are not available: structure is on hold until 2025-06-19 |
|---|
| Chemical name | 4-((5-bromo-2-hydroxybenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one-dichlorido-iron(iii) |
|---|---|
| Formula | C18 H16.2 Br Cl2 Fe N3 O2.6 |
| Authors of publication | Erik Rakovský |
| Journal of publication | To be published |
| a | 18.7876 ± 0.0005 Å |
| b | 15.7007 ± 0.0006 Å |
| c | 13.9795 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4123.7 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin space group symbol | P c c a |
| Hall space group symbol | -P 2a 2ac |
| Residual factor for all reflections | 0.0664 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0833 |
| Weighted residual factors for all reflections included in the refinement | 0.094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | No |
| Has disorder | No |
| Has Fobs | No |
Version history
Not available for prepublication material.
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Users of the data should acknowledge the original authors of the
structural data.