Information card for entry 4339860
| Formula |
C109 H208 Br8 Mn22 N4 O81 |
| Calculated formula |
C92 H160 Br8 Mn22 N4 O76 |
| Title of publication |
High-spin Mn wheels. |
| Authors of publication |
Manoli, Maria; Prescimone, Alessandro; Bagai, Rashmi; Mishra, Abhudaya; Murugesu, Muralee; Parsons, Simon; Wernsdorfer, Wolfgang; Christou, George; Brechin, Euan K. |
| Journal of publication |
Inorganic chemistry |
| Year of publication |
2007 |
| Journal volume |
46 |
| Journal issue |
17 |
| Pages of publication |
6968 - 6979 |
| a |
25.1814 ± 0.0012 Å |
| b |
20.8101 ± 0.001 Å |
| c |
33.712 ± 0.0016 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
17666 ± 1.5 Å3 |
| Cell temperature |
150 K |
| Ambient diffraction temperature |
150 K |
| Number of distinct elements |
6 |
| Space group number |
61 |
| Hermann-Mauguin space group symbol |
P b c a |
| Hall space group symbol |
-P 2ac 2ab |
| Residual factor for all reflections |
0.0762 |
| Residual factor for significantly intense reflections |
0.0496 |
| Weighted residual factors for all reflections |
0.0413 |
| Weighted residual factors for significantly intense reflections |
0.0366 |
| Weighted residual factors for all reflections included in the refinement |
0.0366 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.1538 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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