Information card for entry 7105306
| Formula |
C98 H189 Cl2 Mn12 N O50 |
| Calculated formula |
C97 H187 Mn12 N O50 |
| Title of publication |
Pressure-induced Jahn-Teller switching in a Mn12 nanomagnet. |
| Authors of publication |
Parois, Pascal; Moggach, Stephen A; Sanchez-Benitez, Javier; Kamenev, Konstantin V; Lennie, Alistair R; Warren, John E; Brechin, Euan K; Parsons, Simon; Murrie, Mark |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2010 |
| Journal volume |
46 |
| Journal issue |
11 |
| Pages of publication |
1881 - 1883 |
| a |
16.0888 ± 0.001 Å |
| b |
16.6899 ± 0.001 Å |
| c |
27.539 ± 0.0017 Å |
| α |
76.527 ± 0.001° |
| β |
78.085 ± 0.001° |
| γ |
77.705 ± 0.001° |
| Cell volume |
6930 ± 0.7 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1182 |
| Residual factor for significantly intense reflections |
0.0817 |
| Weighted residual factors for significantly intense reflections |
0.2531 |
| Weighted residual factors for all reflections included in the refinement |
0.2745 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.118 |
| Diffraction radiation wavelength |
0.478 Å |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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