Crystallography Open Database

Information card for entry 4068958

Preview

Coordinates	4068958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H50 B F15 N2 Si
Calculated formula	C61 H50 B F15 N2 Si
SMILES	[Si]12(N(C(=CC(=[N+]1c1c(cccc1C(C)C)C(C)C)C)C[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(cccc1C(C)C)C(C)C)C(=C2c1ccccc1)c1ccccc1
Title of publication	From an N-Heterocyclic Silacyclopropene to Donor-Supported Silacyclopropenylium Cations
Authors of publication	Yao, Shenglai; Xiong, Yun; van Wüllen, Christoph; Driess, Matthias
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	6
Pages of publication	1610
a	12.5629 ± 0.0006 Å
b	15.3822 ± 0.001 Å
c	18.1208 ± 0.001 Å
α	66.811 ± 0.006°
β	75.967 ± 0.004°
γ	75.193 ± 0.005°
Cell volume	3072.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.1505
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1273
Weighted residual factors for all reflections included in the refinement	0.1495
Goodness-of-fit parameter for all reflections included in the refinement	0.845
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178579 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/89.	4068958.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068958.cif
40061	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068957, 4068958, 4068959 via cif-deposit CGI script.	4068958.cif