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Information card for entry 1547207
Preview
| Coordinates | 1547207.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H28 Co Fe N12 O2 |
|---|---|
| Calculated formula | C12 H28 Co Fe N12 O2 |
| Title of publication | Thermal decomposition of [Co(en)3][Fe(CN)6].2H2O: Topotactic dehydration process, valence and spin exchange mechanism elucidation |
| Authors of publication | Zdenek Travnicek; Radek Zboril; Miroslava Matikova-Malarova; Bohuslav Drahos; Juraj Cernak |
| Journal of publication | Chemistry Central Journal |
| Year of publication | 2013 |
| Journal volume | 7 |
| Pages of publication | 28 |
| a | 8.2822 ± 0.0002 Å |
| b | 16.5364 ± 0.0003 Å |
| c | 14.5365 ± 0.0003 Å |
| α | 90° |
| β | 91.988 ± 0.0019° |
| γ | 90° |
| Cell volume | 1989.69 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0354 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0976 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.169 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200972 (current) | 2017-09-18 | cif/ Adding structures of 1547207 via cif-deposit CGI script. |
1547207.cif |
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