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Information card for entry 1551575
Preview
| Coordinates | 1551575.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H58 B F4 Fe N6 O2 |
|---|---|
| Calculated formula | C48 H58 B F4 Fe N6 O2 |
| Title of publication | Crystal Structure of a Six-coordinated (2,3,7,8,12,13,17,18-Octaethylporphyrinato)iron(III) Complex with Two 4-Methylpyridine <i>N</i>-Oxides |
| Authors of publication | IDE, Yuki; YAMADA, Yuya; MORI, Shigeki; IKEUE, Takahisa |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2017 |
| Journal volume | 33 |
| Journal issue | 0 |
| Pages of publication | 25 |
| a | 7.9064 ± 0.0002 Å |
| b | 13.7091 ± 0.0004 Å |
| c | 20.7535 ± 0.0006 Å |
| α | 90.87 ± 0.002° |
| β | 92.579 ± 0.002° |
| γ | 93.419 ± 0.002° |
| Cell volume | 2242.83 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0773 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.1062 |
| Weighted residual factors for all reflections included in the refinement | 0.1167 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216185 (current) | 2019-06-20 | cif/ Adding structures of 1551575 via cif-deposit CGI script. |
1551575.cif |
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