Information card for entry 4338927
| Formula |
C36 H36.31 Cu F12 N6 O6.31 |
| Calculated formula |
C36 H36.3 Cu F12 N6 O6.3 |
| Title of publication |
New spin-transition-like copper(II)-nitroxide species. |
| Authors of publication |
Hirel, Catherine; Li, Licun; Brough, Peter; Vostrikova, Kira; Pécaut, Jacques; Mehdaoui, Boubker; Bernard, Maxime; Turek, Philippe; Rey, Paul |
| Journal of publication |
Inorganic chemistry |
| Year of publication |
2007 |
| Journal volume |
46 |
| Journal issue |
18 |
| Pages of publication |
7545 - 7552 |
| a |
6.983 ± 0.002 Å |
| b |
11.526 ± 0.004 Å |
| c |
14.207 ± 0.005 Å |
| α |
113.055 ± 0.006° |
| β |
98.801 ± 0.006° |
| γ |
90.363 ± 0.006° |
| Cell volume |
1037 ± 0.6 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 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 |
0.0897 |
| Residual factor for significantly intense reflections |
0.0823 |
| Weighted residual factors for significantly intense reflections |
0.2089 |
| Weighted residual factors for all reflections included in the refinement |
0.2133 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.177 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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