Crystallography Open Database

Information card for entry 1519918

1519917 << 1519918 >> 1519919

Preview

Coordinates	1519918.cif

Structure parameters

Formula	C8 H10 Cl3 N O Si
Calculated formula	C8 H10 Cl3 N O Si
SMILES	c12cccc(n1C[Si](CCl)(C)([O]=2)Cl)Cl
Title of publication	C8H10Cl3SiNO
Authors of publication	Taylor, P. G.; Callear, Samantha K.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	607
a	8.7123 ± 0.0004 Å
b	14.4807 ± 0.0009 Å
c	9.3751 ± 0.0005 Å
α	90°
β	105.322 ± 0.003°
γ	90°
Cell volume	1140.72 ± 0.11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1519918.cif
137251	2015-05-22	cif/ Adding structures of 1519918 via cif-deposit CGI script.	1519918.cif