Information card for entry 7115238
| Formula |
C98 H189 Cl2 Mn12 N O50 |
| Calculated formula |
C98 H181 Cl2 Mn12 N O50 |
| Title of publication |
The origin of the second relaxation process in the [Mn12O12(O2CR)16(H2O)4] single-molecule magnets: ‘Jahn‒Teller isomerism’ in the [Mn12O12] core |
| Authors of publication |
Sun, Ziming; Ruiz, Daniel; Hendrickson, David N.; Dilley, Neil R.; Brian Maple, M.; Soler, Mönica; Folting, Kirsten; Christou, George; Ribas, Joan |
| Journal of publication |
Chemical Communications |
| Year of publication |
1999 |
| Journal issue |
19 |
| Pages of publication |
1973 |
| a |
16.4221 ± 0.0019 Å |
| b |
27.434 ± 0.003 Å |
| c |
15.8144 ± 0.0019 Å |
| α |
101.781 ± 0.007° |
| β |
101.793 ± 0.008° |
| γ |
76.902 ± 0.006° |
| Cell volume |
6699.2 ± 1.4 Å3 |
| Cell temperature |
99 K |
| Ambient diffraction temperature |
293 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 significantly intense reflections |
0.0725 |
| Weighted residual factors for all reflections included in the refinement |
0.0563 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.5464 |
| Diffraction radiation wavelength |
0.71069 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7115238.html
