Crystallography Open Database

Information card for entry 7245696

Preview

Coordinates	7245696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 I2 N6 S2 Zn
Calculated formula	C12 H10 I2 N6 S2 Zn
SMILES	I[Zn](I)([NH2]c1c2nsnc2ccc1)[n]1snc2c1cccc2N
Title of publication	The effect of halides and coordination mode of 4-amino-2,1,3-benzothiadiazole on the luminescence properties of its Zn complexes
Authors of publication	Pylova, Ekaterina Konstantinovna; Khisamov, Radmir M.; Bashirov, Denis Aleksandrovich; Sukhikh, Taisiya Sergeevna; Konchenko, Sergey Nikolaevich
Journal of publication	CrystEngComm
Year of publication	2022
a	7.539 ± 0.003 Å
b	11.02 ± 0.005 Å
c	12.373 ± 0.006 Å
α	101.973 ± 0.016°
β	101.819 ± 0.016°
γ	109.72 ± 0.015°
Cell volume	903.5 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0553
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
278674 (current)	2022-10-21	cif/ Adding structures of 7245696, 7245697, 7245698, 7245699, 7245700 via cif-deposit CGI script.	7245696.cif