Crystallography Open Database

Information card for entry 4067686

Preview

Coordinates	4067686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H6 Cl6 Si3
Calculated formula	C3 H6 Cl6 Si3
SMILES	C1[Si](C[Si](C[Si]1(Cl)Cl)(Cl)Cl)(Cl)Cl
Title of publication	Phosphine-Catalyzed Si−C Coupling of Bissilylmethanes: Preparation of Cyclic (Cl2SiCH2)2and Linear Cl2Si(CH2SiCl3)2via Silylene and Silene Intermediates
Authors of publication	Hong, Soon Hyun; Hyun, Sang Il; Jung, Il Nam; Han, Won-Sik; Kim, Min-Hye; Yun, Hoseop; Nam, Suk-Woo; Kang, Sang Ook
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	3
Pages of publication	687
a	6.269 Å
b	8.241 Å
c	12.869 Å
α	73.79°
β	81.34°
γ	80.18°
Cell volume	625.329 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
178567 (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 4/06/76.	4067686.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067686.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067686.cif
34264	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067686 via cif-deposit CGI script.	4067686.cif