Crystallography Open Database

Information card for entry 4510524

Preview

Coordinates	4510524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H13 N O3 S Zn
Calculated formula	C9 H13 N O3 S Zn
Title of publication	New Approach to Reduce the Overhigh Plasma Concentration of Captopril by the Formation of Zinc Coordination Polymer
Authors of publication	Yao, Jia; Mo, Yong-Hui; Chen, Jia-Mei; Lu, Tong-Bu
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	5
Pages of publication	2599
a	9.579 ± 0.0012 Å
b	9.579 ± 0.0012 Å
c	12.11 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1111.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1511
Weighted residual factors for all reflections included in the refinement	0.1589
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179652 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/05.	4510524.cif
115630	2014-06-05	cif/ Updating files of 4510524 Original log message: Adding full bibliography for 4510524.cif.	4510524.cif
111700	2014-04-26	cif/ Adding structures of 4510524 via cif-deposit CGI script.	4510524.cif