Crystallography Open Database

Information card for entry 2023532

2023531 << 2023532 >> 2023533

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Coordinates	2023532.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[2-amino-5-(ethylsulfanyl)-1,3,4-thiadiazol-3-ium] bis(perchlorato-κ<i>O</i>)bis(picolinato-κ^2^<i>N</i>,<i>O</i>)copper(II)
Formula	C20 H24 Cl2 Cu N8 O12 S4
Calculated formula	C20 H21 Cl2 Cu N8 O12 S4
Title of publication	Synthesis, crystal structure and Hirshfeld surface analysis of bis[2-amino-5-(ethylsulfanyl)-1,3,4-thiadiazol-3-ium] bis(perchlorato-κO)bis(picolinato-κ2 N,O)copper(II)
Authors of publication	Khojabaeva, Gulnaz; Torambetov, Batirbay; Gonnade, Rajesh G.; Uzakbergenova, Zamira; Rasulov, Abdusamat; Kadirova, Shakhnoza
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	7
a	6.31 ± 0.0002 Å
b	9.8179 ± 0.0002 Å
c	13.3493 ± 0.0004 Å
α	90.522 ± 0.001°
β	98.818 ± 0.001°
γ	99.478 ± 0.001°
Cell volume	805.57 ± 0.04 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 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	0.0401
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300219 (current)	2025-06-26	cif/ Adding structures of 2023532 via cif-deposit CGI script.	2023532.cif