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Information card for entry 7201252
Preview
| Coordinates | 7201252.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H27 Cl2 Fe N5 Ni O2 S6 |
|---|---|
| Calculated formula | C42 H27 Cl2 Fe N5 Ni O2 S6 |
| Title of publication | A new hybrid material exhibiting room temperature spin-crossover and ferromagnetic cluster-glass behavior |
| Authors of publication | Neves, Ana I. S.; Dias, João C.; Vieira, Bruno J. C.; Santos, Isabel C.; Castelo Branco, Moritz B.; Pereira, Laura C. J.; Waerenborgh, João C.; Almeida, Manuel; Belo, Dulce; da Gama, Vasco |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 10 |
| Pages of publication | 2160 |
| a | 12.7394 ± 0.0013 Å |
| b | 13.1194 ± 0.001 Å |
| c | 13.7931 ± 0.0014 Å |
| α | 108.043 ± 0.003° |
| β | 92.324 ± 0.003° |
| γ | 109.564 ± 0.003° |
| Cell volume | 2038.4 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.114 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for significantly intense reflections | 0.1214 |
| Weighted residual factors for all reflections included in the refinement | 0.1376 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180343 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/12. |
7201252.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201252.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201252.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201252.cif |
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