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Information card for entry 2005197
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| Coordinates | 2005197.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C26 H18 Br2 Cl Fe N2 O2 |
|---|---|
| Calculated formula | C26 H18 Br2 Cl Fe N2 O2 |
| SMILES | [Fe]12(Cl)(Oc3c(C=[N]1c1ccc(Br)cc1)cccc3)Oc1ccccc1C=[N]2c1ccc(Br)cc1 |
| Title of publication | A Five-Coordinate Bis(<i>p</i>-bromophenylsalicylaldimino)chloroiron(III) Complex |
| Authors of publication | Elerman, Y.; Paulus, H. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 8 |
| Pages of publication | 1971 - 1973 |
| a | 10.068 ± 0.001 Å |
| b | 21.731 ± 0.002 Å |
| c | 11.293 ± 0.001 Å |
| α | 90° |
| β | 98.26 ± 0.01° |
| γ | 90° |
| Cell volume | 2445.1 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.049 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for all reflections | 0.08 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Goodness-of-fit parameter for all reflections | 1.049 |
| Goodness-of-fit parameter for significantly intense reflections | 1.09 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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