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Information card for entry 7234507
Preview
| Coordinates | 7234507.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H16 Fe N14 O4 |
|---|---|
| Calculated formula | C22 H16 Fe N14 O4 |
| Title of publication | A charge neutral iron(ii) complex with an above room temperature spin crossover (SCO) and hysteresis loop |
| Authors of publication | Kuppusamy Senthil Kumar; Ivan Salitros; Benoit Heinrich; Olaf Fuhr; Mario Ruben |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 11635 - 11644 |
| a | 16.2431 ± 0.0008 Å |
| b | 10.5762 ± 0.0003 Å |
| c | 14.6113 ± 0.0008 Å |
| α | 90° |
| β | 101.796 ± 0.004° |
| γ | 90° |
| Cell volume | 2457.1 ± 0.2 Å3 |
| Cell temperature | 180.15 K |
| Ambient diffraction temperature | 180.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0415 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0672 |
| Weighted residual factors for all reflections included in the refinement | 0.0709 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219202 (current) | 2019-10-09 | cif/ Adding structures of 7234507 via cif-deposit CGI script. |
7234507.cif |
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Users of the data should acknowledge the original authors of the
structural data.