Information card for entry 7130577
Formula |
C33 H29 Fe N S |
Calculated formula |
C33 H29 Fe N S |
Title of publication |
A crystalline cyclic (alkyl)(amino)carbene with a 1,1‘-ferrocenylene backbone |
Authors of publication |
Volk, Julia; Heinz, Myron; Leibold, Michael; Bruhn, Clemens; Bens, Tobias; Sarkar, Biprajit; Holthausen, Max C.; Siemeling, Ulrich |
Journal of publication |
Chemical Communications |
Year of publication |
2022 |
a |
12.226 ± 0.0007 Å |
b |
8.7422 ± 0.0004 Å |
c |
23.4931 ± 0.0014 Å |
α |
90° |
β |
97.775 ± 0.005° |
γ |
90° |
Cell volume |
2487.9 ± 0.2 Å3 |
Cell temperature |
100 K |
Ambient diffraction temperature |
100 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0494 |
Residual factor for significantly intense reflections |
0.0373 |
Weighted residual factors for significantly intense reflections |
0.0954 |
Weighted residual factors for all reflections included in the refinement |
0.1009 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.049 |
Diffraction radiation probe |
x-ray |
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/7130577.html