Crystallography Open Database

Information card for entry 2023069

2023068 << 2023069 >> 2023070

Preview

Coordinates	2023069.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bromidotetrakis[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-amine-κ<i>N</i>^3^]copper(II) bromide
Formula	C20 H28 Br2 Cu N12 S8
Calculated formula	C20 H28 Br2 Cu N12 S8
Title of publication	Synthesis, crystal structure and Hirshfeld surface analysis of bromido-tetra-kis-[5-(prop-2-en-1-yl-sulf-an-yl)-1,3,4-thia-diazol-2-amine-κ<i>N</i><sup>3</sup>]copper(II) bromide.
Authors of publication	Atashov, Aziz; Azamova, Mukhlisakhon; Ziyatov, Daminbek; Uzakbergenova, Zamira; Torambetov, Batirbay; Holczbauer, Tamas; Ashurov, Jamshid; Kadirova, Shakhnoza
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 4
Pages of publication	408 - 412
a	12.69368 ± 0.00009 Å
b	12.69368 ± 0.00009 Å
c	11.35879 ± 0.00013 Å
α	90°
β	90°
γ	90°
Cell volume	1830.24 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.028
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0649
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
291721 (current)	2024-05-06	cif/ Updating files of 2023069 Original log message: Adding full bibliography for 2023069.cif.	2023069.cif
290674	2024-03-27	cif/ Adding structures of 2023069 via cif-deposit CGI script.	2023069.cif