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Information card for entry 2203254
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| Coordinates | 2203254.cif |
|---|---|
| Structure factors | 2203254.hkl |
| Original IUCr paper | HTML |
| Formula | C28 H22 Cl2 Fe2 N2 O4 |
|---|---|
| Calculated formula | C28 H22 Cl2 Fe2 N2 O4 |
| SMILES | c1c2[N]3=Cc4c(O[Fe]53(Cl)[O](Cc2ccc1)[Fe]12([N](c3c(C[O]51)cccc3)=Cc1ccccc1O2)Cl)cccc4 |
| Title of publication | Dichlorobis[<i>N</i>-(2-oxymethylphenyl)salicylideneiminato]diiron(III) |
| Authors of publication | Koikawa, Masayuki; Iwashita, Kumiko; Tokii, Tadashi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 2 |
| Pages of publication | m239 - m241 |
| a | 10.182 ± 0.002 Å |
| b | 12.131 ± 0.002 Å |
| c | 11.3 ± 0.002 Å |
| α | 90° |
| β | 106.11 ± 0.01° |
| γ | 90° |
| Cell volume | 1340.9 ± 0.4 Å3 |
| Cell temperature | 296.1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for all reflections included in the refinement | 0.123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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