Information card for entry 7214812
| Formula |
C60 H86 Fe Mn2 N11 O13 |
| Calculated formula |
C60 H86.001 Fe Mn2 N11 O13 |
| Title of publication |
Synthesis, crystal structure, magnetic properties and computational study of a series of cyano-bridged MnIII-FeIII complexes |
| Authors of publication |
Kara, Hulya; Azizoglu, Akın; Karaoglu, Ayse; Yahsi, Yasemin; Gungor, Elif; Caneschi, Andrea; Sorace, Lorenzo |
| Journal of publication |
CrystEngComm |
| Year of publication |
2012 |
| Journal volume |
14 |
| Journal issue |
21 |
| Pages of publication |
7320 |
| a |
16.4076 ± 0.0003 Å |
| b |
10.4683 ± 0.0002 Å |
| c |
21.8806 ± 0.0004 Å |
| α |
90° |
| β |
119.305 ± 0.001° |
| γ |
90° |
| Cell volume |
3277.25 ± 0.11 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
13 |
| Hermann-Mauguin space group symbol |
P 1 2/c 1 |
| Hall space group symbol |
-P 2yc |
| Residual factor for all reflections |
0.0516 |
| Residual factor for significantly intense reflections |
0.035 |
| Weighted residual factors for significantly intense reflections |
0.0798 |
| Weighted residual factors for all reflections included in the refinement |
0.0877 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.012 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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