Crystallography Open Database

Information card for entry 1564118

Preview

Coordinates	1564118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 Hg3 N12 S6
Calculated formula	C20 H26 Hg3 N12 S6
Title of publication	Bimetallic and trimetallic Cd(II) and Hg(II) mixed-ligand complexes with 1,1-dicyanoethylene-2,2-dithiolate and polyamines: Synthesis, crystal structure, Hirshfeld surface analysis, and antimicrobial study
Authors of publication	Adhikari, Suman; Bhattacharjee, Tirtha; Nath, Priyatosh; Das, Arijit; Jasinski, Jerry P.; Butcher, Raymond J.; Maiti, Debasish
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	512
Pages of publication	119877
a	14.8599 ± 0.001 Å
b	8.3714 ± 0.0006 Å
c	26.305 ± 0.002 Å
α	90°
β	98.725 ± 0.003°
γ	90°
Cell volume	3234.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0905
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1249
Goodness-of-fit parameter for all reflections included in the refinement	1.196
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
267493 (current)	2021-07-13	cif/ Adding structures of 1564118, 1564119 via cif-deposit CGI script.	1564118.cif