Crystallography Open Database

Information card for entry 4106509

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Coordinates	4106509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H26.86 B11 Cl6.14 F2 Si
Calculated formula	C23 H26.8639 B11 Cl6.1361 F2 Si
Title of publication	Competition between π-Arene and Lone-Pair Halogen Coordination of Silylium Ions?
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	2011
Journal volume	133
Pages of publication	11844 - 11846
a	11.54215 ± 0.00011 Å
b	14.69775 ± 0.00017 Å
c	19.3449 ± 0.0002 Å
α	90°
β	94.908 ± 0.001°
γ	90°
Cell volume	3269.71 ± 0.06 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0376
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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