Crystallography Open Database

Information card for entry 1550245

Preview

Coordinates	1550245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H20 N4 O4 S2
Calculated formula	C15 H20 N4 O4 S2
Title of publication	Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach.
Authors of publication	Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna
Journal of publication	Metallomics : integrated biometal science
Year of publication	2019
Journal volume	11
Journal issue	1
Pages of publication	213 - 225
a	7.2921 ± 0.0006 Å
b	7.8235 ± 0.0006 Å
c	30.636 ± 0.002 Å
α	90°
β	93.61 ± 0.003°
γ	90°
Cell volume	1744.3 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.0957
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
224651 (current)	2019-11-08	cif/ Updating files of 1550243, 1550244, 1550245, 1550246, 1550247, 1550248, 1550249 Original log message: Adding full bibliography for 1550243--1550249.cif.	1550245.cif
211992	2018-11-16	cif/ Adding structures of 1550245 via cif-deposit CGI script.	1550245.cif