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Information card for entry 7234330
Preview
| Coordinates | 7234330.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H14.5 Fe N14 O1.25 |
|---|---|
| Calculated formula | C18 H14.5 Fe N14 O1.25 |
| Title of publication | Multi-modal sensing in spin crossover compounds |
| Authors of publication | Denis Gentili; Nicola Demitri; Bernhard Schafer; Fabiola Liscio; Ilaria Bergenti; Giampiero Ruani; Mario Ruben; Massimiliano Cavallini |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 7836 - 7844 |
| a | 23.784 ± 0.007 Å |
| b | 14.518 ± 0.001 Å |
| c | 15.534 ± 0.0019 Å |
| α | 90° |
| β | 127.854 ± 0.005° |
| γ | 90° |
| Cell volume | 4235.2 ± 1.4 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 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 | 0.0383 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.0907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219063 (current) | 2019-10-03 | cif/ Adding structures of 7234330, 7234331, 7234332, 7234333, 7234334, 7234335 via cif-deposit CGI script. |
7234330.cif |
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Users of the data should acknowledge the original authors of the
structural data.