Information card for entry 2021686
Chemical name |
2,2-Bis(3,5-dimethylpyrazol-1-yl)-1,1-diphenylethanol |
Formula |
C24 H26 N4 O |
Calculated formula |
C24 H26 N4 O |
SMILES |
n1(nc(cc1C)C)C(n1nc(cc1C)C)C(O)(c1ccccc1)c1ccccc1 |
Title of publication |
The heteroscorpionate ligand 2,2-bis(3,5-dimethylpyrazol-1-yl)-1,1-diphenylethanol and an easy preparation of its tungsten complex |
Authors of publication |
Böhme, Uwe; Schwarzer, Anke; Günther, Betty |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2019 |
Journal volume |
75 |
Journal issue |
7 |
a |
19.0555 ± 0.0006 Å |
b |
12.384 ± 0.0005 Å |
c |
17.8388 ± 0.0007 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
4209.7 ± 0.3 Å3 |
Cell temperature |
193 ± 2 K |
Ambient diffraction temperature |
193 K |
Number of distinct elements |
4 |
Space group number |
60 |
Hermann-Mauguin space group symbol |
P b c n |
Hall space group symbol |
-P 2n 2ab |
Residual factor for all reflections |
0.0696 |
Residual factor for significantly intense reflections |
0.0452 |
Weighted residual factors for significantly intense reflections |
0.0959 |
Weighted residual factors for all reflections included in the refinement |
0.1139 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.1 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2021686.html