Crystallography Open Database

Information card for entry 7711911

7711910 << 7711911 >> 7711912

Preview

Coordinates	7711911.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	AB168-2
Formula	C9 H12 Cl2 Hg N4 O4 S2
Calculated formula	C9 H12 Cl2 Hg N4 O4 S2
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	6.4268 ± 0.0012 Å
b	11.856 ± 0.002 Å
c	11.961 ± 0.002 Å
α	66.129 ± 0.007°
β	76.319 ± 0.006°
γ	80.674 ± 0.006°
Cell volume	807.5 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0673
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	7711911.cif
279845	2022-12-13	cif/ Adding structures of 7711910, 7711911, 7711912 via cif-deposit CGI script.	7711911.cif