Crystallography Open Database

Information card for entry 1519784

1519783 << 1519784 >> 1519785

Preview

Coordinates	1519784.cif

Structure parameters

Formula	C28 H32 N2 O4 P2 S4 Zn
Calculated formula	C28 H32 N2 O4 P2 S4 Zn
Title of publication	C28H32N2O4P2S4Zn
Authors of publication	Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.
Journal of publication	Crystal Structure Report Archive
Year of publication	2006
Pages of publication	238
a	11.9835 ± 0.0003 Å
b	17.4682 ± 0.0003 Å
c	15.301 ± 0.0004 Å
α	90°
β	98.856 ± 0.001°
γ	90°
Cell volume	3164.78 ± 0.13 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	1519784.cif
137052	2015-05-20	cif/ Adding structures of 1519784 via cif-deposit CGI script.	1519784.cif