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Information card for entry 2011971
Preview
| Coordinates | 2011971.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C45 H23 F8 Fe N4 O |
|---|---|
| Calculated formula | C45 H23 F8 Fe N4 O |
| Title of publication | Methoxy[<i>meso</i>-5,10,15,20-tetrakis(2,6-difluorophenyl)porphyrinato]iron(III), [Fe(TDFPP)(OCH~3~)] |
| Authors of publication | Kim, Youngmee; Nam, Wonwoo; Lim, Mi Hee; Jin, Sook-Won; Lough, Alan J.; Kim, Sung-Jin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 5 |
| Pages of publication | 556 - 557 |
| a | 12.4526 ± 0.0004 Å |
| b | 12.6673 ± 0.0005 Å |
| c | 12.6426 ± 0.0005 Å |
| α | 90° |
| β | 114.39 ± 0.03° |
| γ | 90° |
| Cell volume | 1816.3 ± 0.4 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 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 all reflections | 0.12 |
| Residual factor for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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