Crystallography Open Database

Information card for entry 1550249

Preview

Coordinates	1550249.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H24 Hg2 I4 N6 S3
Calculated formula	C15 H24 Hg2 I4 N6 S3
SMILES	[Hg](I)(I)(I)[S]=C1N(C=CN1C)C.[Hg](I)([S]=C1N(C=CN1C)C)[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	18.3607 ± 0.0007 Å
b	14.7466 ± 0.0006 Å
c	11.7959 ± 0.0004 Å
α	90°
β	107.761 ± 0.001°
γ	90°
Cell volume	3041.6 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	1550249.cif
211996	2018-11-16	cif/ Adding structures of 1550249 via cif-deposit CGI script.	1550249.cif