Crystallography Open Database

Information card for entry 1564119

Preview

Coordinates	1564119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 Cd2 N8 S4
Calculated formula	C14 H20 Cd2 N8 S4
SMILES	C1CC[NH2][Cd]23([NH2]1)SC(=C(C#N)C#N)[S]2[Cd]12([NH2]CCC[NH2]1)SC(=C(C#N)C#N)[S]32
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	10.9071 ± 0.0012 Å
b	8.8713 ± 0.0008 Å
c	12.1692 ± 0.0011 Å
α	90°
β	110.285 ± 0.011°
γ	90°
Cell volume	1104.5 ± 0.2 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	0.0811
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1332
Weighted residual factors for all reflections included in the refinement	0.1617
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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.	1564119.cif