Crystallography Open Database

Information card for entry 4114563

Preview

Coordinates	4114563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Cl2 Si
Calculated formula	C12 H8 Cl2 Si
SMILES	c12ccccc1c1c([Si]2(Cl)Cl)cccc1
Title of publication	Structure and Chemistry of 1-Silafluorenyl Dianion, Its Derivatives, and an Organosilicon Diradical Dianion
Authors of publication	Yuxia Liu; Thomas C. Stringfellow; David Ballweg; Ilia A. Guzei; Robert West
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	49 - 57
a	7.4375 ± 0.0006 Å
b	12.154 ± 0.001 Å
c	12.7246 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1150.24 ± 0.17 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0777
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
178916 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/45.	4114563.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114563.cif
67893	2012-10-08	cif/ Adding structures of 4114563 via cif-deposit CGI script.	4114563.cif