Crystallography Open Database

Information card for entry 4102552

Preview

Coordinates	4102552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H62.71 B2 F48 O2 Si2
Calculated formula	C99 H55.71 B2 F48 O2 Si2
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	15.9428 ± 0.0004 Å
b	17.3376 ± 0.0003 Å
c	19.1253 ± 0.0003 Å
α	76.719 ± 0.0013°
β	76.937 ± 0.0011°
γ	79.5644 ± 0.0012°
Cell volume	4965.13 ± 0.17 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0646
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4102552.html