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Information card for entry 1551558
Preview
| Coordinates | 1551558.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H19 Cl2 F6 Fe N5 P |
|---|---|
| Calculated formula | C26 H19 Cl2 F6 Fe N5 P |
| Title of publication | Crystal Structure of a Mononuclear Iron(III) Complex, Dichloridobis(1,10-phenanthroline-κ<sup>2</sup><i>N,N</i>′)iron(III) Hexafluoridophosphate‒acetonitrile |
| Authors of publication | KANEKO, Satoshi; MITSUHASHI, Ryoji; MIKURIYA, Masahiro; SAKIYAMA, Hiroshi |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2018 |
| Journal volume | 34 |
| Journal issue | 0 |
| Pages of publication | 49 |
| a | 16.3586 ± 0.0012 Å |
| b | 12.6022 ± 0.0009 Å |
| c | 13.0231 ± 0.0009 Å |
| α | 90° |
| β | 103.676 ± 0.001° |
| γ | 90° |
| Cell volume | 2608.7 ± 0.3 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0406 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.0949 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216168 (current) | 2019-06-20 | cif/ Adding structures of 1551558 via cif-deposit CGI script. |
1551558.cif |
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Users of the data should acknowledge the original authors of the
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