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Information card for entry 2003641
Preview
| Coordinates | 2003641.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Diaquo-5,10,15,20-(Tetraphenylporphinato)iron(III) Perchlorate |
|---|---|
| Formula | C44 H32 Cl Fe N4 O6 |
| Calculated formula | C44 H32 Cl Fe N4 O6 |
| Title of publication | Diaqua(5,10,15,20-tetraphenylporphinato)iron(III) Perchlorate, [Fe(C~44~H~28~N~4~)(H~2~O)~2~]ClO~4~ |
| Authors of publication | Cheng, B.; Scheidt, W. R. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 7 |
| Pages of publication | 1271 - 1275 |
| a | 10.33 ± 0.001 Å |
| b | 24.092 ± 0.001 Å |
| c | 21.543 ± 0.001 Å |
| α | 90° |
| β | 97.89 ± 0.01° |
| γ | 90° |
| Cell volume | 5310.7 ± 0.6 Å3 |
| Cell temperature | 127 ± 2 K |
| Ambient diffraction temperature | 127 ± 2 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 | 0.1133 |
| Residual factor for significantly intense reflections | 0.0684 |
| Weighted residual factors for all reflections | 0.1939 |
| Weighted residual factors for significantly intense reflections | 0.1657 |
| Goodness-of-fit parameter for all reflections | 1.057 |
| Goodness-of-fit parameter for significantly intense reflections | 1.156 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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