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Information card for entry 2241760
Preview
| Coordinates | 2241760.cif |
|---|---|
| Structure factors | 2241760.hkl |
| Original IUCr paper | HTML |
| Common name | [Fe(TTP)(2-MeHim)2]ClO4 |
|---|---|
| Chemical name | Bis(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(<i>meso</i>-tetra-<i>p</i>-tolyl)porphyrinato-κ^4^<i>N</i>)iron(III) perchlorate tetrahydrofuran sesquisolvate |
| Formula | C62 H60 Cl Fe N8 O5.5 |
| Calculated formula | C62 H60 Cl Fe N8 O5.5 |
| Title of publication | Crystal structure of bis(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(<i>meso</i>-tetra-<i>p</i>-tolylporphyrinato-κ^4^<i>N</i>)iron(III) perchlorate tetrahydrofuran sesquisolvate |
| Authors of publication | Sun, Wenyan; Li, Jianfeng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 8 |
| Pages of publication | 1116 - 1120 |
| a | 26.7161 ± 0.001 Å |
| b | 16.6111 ± 0.0006 Å |
| c | 24.9673 ± 0.0008 Å |
| α | 90° |
| β | 103.538 ± 0.001° |
| γ | 90° |
| Cell volume | 10772.2 ± 0.7 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0641 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1201 |
| Weighted residual factors for all reflections included in the refinement | 0.1325 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184417 (current) | 2016-07-13 | cif/ hkl/ Adding structures of 2241760 via cif-deposit CGI script. |
2241760.cif 2241760.hkl |
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Users of the data should acknowledge the original authors of the
structural data.