Crystallography Open Database

Information card for entry 1563870

Preview

Coordinates	1563870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 N2 S4 Zn
Calculated formula	C22 H16 N2 S4 Zn
SMILES	[Zn]12(Sc3c([N]1=Cc1sccc1)cccc3)Sc1ccccc1[N]2=Cc1sccc1
Title of publication	DNA-BSA interaction, cytotoxicity and molecular docking of mononuclear zinc complexes with reductively cleaved N2S2 Schiff base ligands
Authors of publication	Asadizadeh, Saeedeh; Amirnasr, Mehdi; Fadaei Tirani, Farzaneh; Mansouri, Alireza; Schenk, Kurt
Journal of publication	Inorganica Chimica Acta
Year of publication	2018
Journal volume	483
Pages of publication	310 - 320
a	9.9123 ± 0.0006 Å
b	10.5448 ± 0.0007 Å
c	11.1278 ± 0.0006 Å
α	78.944 ± 0.005°
β	74.356 ± 0.005°
γ	70.717 ± 0.006°
Cell volume	1050.42 ± 0.12 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0268
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0703
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266890 (current)	2021-07-02	cif/ Adding structures of 1563870 via cif-deposit CGI script.	1563870.cif