Information card for entry 7130042
Formula |
C70 H88 F12 Mn N14 O2 P2 |
Calculated formula |
C70 H88 F12 Mn N14 O2 P2 |
Title of publication |
A mesoionic carbene complex of manganese in five oxidation states |
Authors of publication |
Wittwer, Benjamin; Dickmann, Nicole; Berg, Stephan; Leitner, Daniel; Tesi, Lorenzo; Hunger, David; Gratzl, Raphael; van Slageren, Joris; Neuman, Nicolas I.; Munz, Dominik; Hohloch, Stephan |
Journal of publication |
Chemical Communications |
Year of publication |
2022 |
a |
23.276 ± 0.003 Å |
b |
21.164 ± 0.003 Å |
c |
29.506 ± 0.004 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
14535 ± 3 Å3 |
Cell temperature |
130 ± 2 K |
Ambient diffraction temperature |
130 ± 2 K |
Number of distinct elements |
7 |
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 |
0.1032 |
Residual factor for significantly intense reflections |
0.0568 |
Weighted residual factors for significantly intense reflections |
0.1346 |
Weighted residual factors for all reflections included in the refinement |
0.163 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.067 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/7130042.html