Crystallography Open Database

Information card for entry 4068957

Preview

Structure parameters

Formula	C52.5 H45.5 B F15 N2 Si
Calculated formula	C52.5 H45.5 B F15 N2 Si
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	11.2757 ± 0.0009 Å
b	12.8546 ± 0.0009 Å
c	18.2049 ± 0.0014 Å
α	101.619 ± 0.006°
β	91.53 ± 0.006°
γ	107.133 ± 0.007°
Cell volume	2459.5 ± 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	0.1034
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	0.821
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
301829 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure.	4068957.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4068957.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068957.cif
40061	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068957, 4068958, 4068959 via cif-deposit CGI script.	4068957.cif