Information card for entry 1550930
Formula |
C22 H28 Si2 |
Calculated formula |
C22 H28 Si2 |
SMILES |
C(#CC(=C(c1ccccc1)c1ccccc1)[Si](C)(C)C)[Si](C)(C)C |
Title of publication |
1-Titanacyclobuta-2,3-diene ‒ an Elusive Four-membered Cyclic Allene |
Authors of publication |
Reiß, Fabian; Reiß, Melanie; Bresien, Jonas; Spannenberg, Anke; Jiao, Haijun; Baumann, Wolfgang; Arndt, Perdita; Beweries, Torsten |
Journal of publication |
Chemical Science |
Year of publication |
2019 |
a |
11.485 ± 0.002 Å |
b |
9.6273 ± 0.0019 Å |
c |
19.737 ± 0.004 Å |
α |
90° |
β |
101.59 ± 0.03° |
γ |
90° |
Cell volume |
2137.8 ± 0.7 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
3 |
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 |
0.0617 |
Residual factor for significantly intense reflections |
0.0338 |
Weighted residual factors for significantly intense reflections |
0.0805 |
Weighted residual factors for all reflections included in the refinement |
0.0852 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.814 |
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/1550930.html