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Information card for entry 2105827
Preview
| Coordinates | 2105827.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H8 Ag2 Fe N8 |
|---|---|
| Calculated formula | C12 H8 Ag2 Fe N8 |
| Title of publication | Temperature- and pressure-dependent structural study of {Fe(pmd)~2~[Ag(CN)~2~]~2~}~<i>n~</i> spin-crossover compound by neutron Laue diffraction |
| Authors of publication | Rodríguez-Velamazán, José Alberto; Cañadillas-Delgado, Laura; Castro, Miguel; McIntyre, Garry J.; Real, José Antonio |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | 436 - 443 |
| a | 15.782 ± 0.003 Å |
| b | 8.229 ± 0.003 Å |
| c | 13.304 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1727.8 ± 0.8 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.2183 |
| Residual factor for significantly intense reflections | 0.155 |
| Weighted residual factors for significantly intense reflections | 0.1785 |
| Weighted residual factors for all reflections included in the refinement | 0.194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.448 |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176768 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2105827.cif |
| 115932 | 2014-06-06 | cif/ Updating files of 2105819, 2105820, 2105821, 2105822, 2105823, 2105824, 2105825, 2105826, 2105827, 2105828, 2105829, 2105830, 2105831 Original log message: Adding full bibliography for 2105819--2105831.cif. |
2105827.cif |
| 114538 | 2014-05-25 | cif/ hkl/ Adding structures of 2105819, 2105820, 2105821, 2105822, 2105823, 2105824, 2105825, 2105826, 2105827, 2105828, 2105829, 2105830, 2105831 via cif-deposit CGI script. |
2105827.cif |
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Users of the data should acknowledge the original authors of the
structural data.