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Information card for entry 2010546
Preview
| Coordinates | 2010546.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C13 H12 Cl2 Fe N3 O3 |
|---|---|
| Calculated formula | C13 H12 Cl2 Fe N3 O3 |
| SMILES | [Fe]12(Cl)(Cl)([OH]C)[n]3ccccc3C(=O)N1C(=O)c1[n]2cccc1 |
| Title of publication | [Fe(C~12~H~8~N~3~O~2~)Cl~2~(<i>R</i>OH)], with <i>R</i> = Me and Et |
| Authors of publication | Kajiwara, Takashi; Ito, Tasuku |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 1 |
| Pages of publication | 22 - 23 |
| a | 8.3695 ± 0.0011 Å |
| b | 8.5208 ± 0.0011 Å |
| c | 11.7567 ± 0.0016 Å |
| α | 101.532 ± 0.002° |
| β | 97.517 ± 0.002° |
| γ | 109.958 ± 0.003° |
| Cell volume | 753.91 ± 0.17 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.048 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for all reflections included in the refinement | 0.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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