Crystallography Open Database

Information card for entry 4107250

Preview

Coordinates	4107250.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Trimethylsilicenium Tetrakis(pentafluorophenyl)borate toluene solvate
Formula	C34 H17 B F20 Si
Calculated formula	C34 H17 B F20 Si
Title of publication	Silylium-Arene Adducts: An Experimental and Theoretical Study
Authors of publication	Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	21016 - 21027
a	17.0809 ± 0.0011 Å
b	18.9831 ± 0.0012 Å
c	20.863 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	6764.8 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0778
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	0.964
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178818 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/72.	4107250.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107250.cif
54902	2012-04-30	cif/ Adding structures of 4107250 via cif-deposit CGI script.	4107250.cif