Crystallography Open Database

Information card for entry 7711912

7711911 << 7711912 >> 7711913

Preview

Coordinates	7711912.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	AB180
Formula	C11 H12 Hg N6 S4
Calculated formula	C11 H12 Hg N6 S4
Title of publication	New Hg(II) coordination polymers based on a thioimidazole ligand with good performance to detoxify Hg(II) and reversibly capture iodine.
Authors of publication	Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Hoveizi, Elham; Naseri, Nadieh; Mayer, Peter; Centore, Roberto
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	3
Pages of publication	683 - 695
a	14.1931 ± 0.0011 Å
b	8.7482 ± 0.0007 Å
c	13.6781 ± 0.0011 Å
α	90°
β	101.975 ± 0.003°
γ	90°
Cell volume	1661.4 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0187
Residual factor for significantly intense reflections	0.0159
Weighted residual factors for significantly intense reflections	0.0338
Weighted residual factors for all reflections included in the refinement	0.0347
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
283348 (current)	2023-05-05	cif/ Updating files of 7711910, 7711911, 7711912 Original log message: Adding full bibliography for 7711910--7711912.cif.	7711912.cif
279845	2022-12-13	cif/ Adding structures of 7711910, 7711911, 7711912 via cif-deposit CGI script.	7711912.cif