Crystallography Open Database

Information card for entry 1519881

1519880 << 1519881 >> 1519882

Preview

Coordinates	1519881.cif

Structure parameters

Formula	C14 H16 Cl2 N2 O2 Si
Calculated formula	C14.065 H16.195 Cl1.935 N2 O2 Si
Title of publication	C14H16Cl2N2O2Si
Authors of publication	Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	619
a	8.1291 ± 0.0003 Å
b	10.8097 ± 0.0004 Å
c	11.8595 ± 0.0005 Å
α	109.321 ± 0.002°
β	103.396 ± 0.002°
γ	100.002 ± 0.002°
Cell volume	920.42 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0808
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1436
Weighted residual factors for all reflections included in the refinement	0.1558
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1519881.cif
137214	2015-05-22	cif/ Adding structures of 1519881 via cif-deposit CGI script.	1519881.cif