Crystallography Open Database

Information card for entry 1550247

Preview

Coordinates	1550247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 Hg2 I4 N4 S2
Calculated formula	C10 H16 Hg2 I4 N4 S2
SMILES	[Hg]1([I][Hg]([I]1)(I)[S]=C1N(C)C=CN1C)(I)[S]=C1N(C)C=CN1C
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	10.1454 ± 0.0003 Å
b	15.0815 ± 0.0003 Å
c	15.2995 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2340.94 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0262
Residual factor for significantly intense reflections	0.0212
Weighted residual factors for significantly intense reflections	0.0445
Weighted residual factors for all reflections included in the refinement	0.0467
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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.	1550247.cif
211994	2018-11-16	cif/ Adding structures of 1550247 via cif-deposit CGI script.	1550247.cif