Crystallography Open Database

Information card for entry 4102551

Preview

Coordinates	4102551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 B11 Cl6 F4 Si
Calculated formula	C21 H21 B11 Cl6 F4 Si
Title of publication	Intramolecular Halogen Stabilization of Silylium Ions Directs Gearing Dynamics
Authors of publication	Paola Romanato; Simon Duttwyler; Anthony Linden; Kim K. Baldridge; Jay S. Siegel
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	7828 - 7829
a	17.7592 ± 0.0003 Å
b	19.4726 ± 0.0002 Å
c	18.2732 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	6319.2 ± 0.14 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0913
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4102551.html