Crystallography Open Database

Information card for entry 1520370

1520369 << 1520370 >> 1520371

Preview

Coordinates	1520370.cif

Structure parameters

Formula	C9 H9 Cl3 F3 N O Si
Calculated formula	C9 H9 Cl3 F3 N O Si
SMILES	Cl[Si]1([O]=c2n(C1)cc(cc2Cl)C(F)(F)F)(CCl)C
Title of publication	C9H9Cl3F3NOSi
Authors of publication	Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2009
Pages of publication	699
a	9.0871 ± 0.0003 Å
b	7.3467 ± 0.0002 Å
c	21.0204 ± 0.0006 Å
α	90°
β	101.787 ± 0.001°
γ	90°
Cell volume	1373.74 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1116
Residual factor for significantly intense reflections	0.0947
Weighted residual factors for significantly intense reflections	0.2496
Weighted residual factors for all reflections included in the refinement	0.2635
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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.	1520370.cif
138373	2015-06-05	cif/ Adding structures of 1520370 via cif-deposit CGI script.	1520370.cif