Crystallography Open Database

Information card for entry 1519562

1519561 << 1519562 >> 1519563

Preview

Coordinates	1519562.cif

Structure parameters

Formula	C19 H21 I4 N4 S3
Calculated formula	C19 H21 I4 N4 S3
Title of publication	C19H21I4N4S3
Authors of publication	Bricklebank, Neil; Coles, Simon J.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2003
Pages of publication	901
a	9.1432 ± 0.0001 Å
b	9.9264 ± 0.0002 Å
c	16.5802 ± 0.0003 Å
α	100.098 ± 0.001°
β	95.733 ± 0.001°
γ	110.706 ± 0.001°
Cell volume	1364.22 ± 0.04 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	1519562.cif
136168	2015-05-13	cif/ Adding structures of 1519562 via cif-deposit CGI script.	1519562.cif