Crystallography Open Database

Information card for entry 2312829

Preview

Coordinates	2312829.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Dichloridobis(propyl 4-{[1-(2-methyl-4-nitrophenyl)-1<i>H</i>-1,2,3-triazol-4-yl]methoxy}benzoate)copper(II)
Formula	C40 H40 Cl2 Cu N8 O10
Calculated formula	C40 H40 Cl2 Cu N8 O10
Title of publication	Synthesis, crystal structure and Hirshfeld surface analysis of a propyl 4-{[1-(2-methyl-4-nitro-phen-yl)-1<i>H</i>-1,2,3-triazol-4-yl]meth-oxy}benzoate copper(II) chloride complex.
Authors of publication	Hakimov, Muminjon; Ortikov, Ilkhomjon; Sattarov, Tulkinjon; Tashkhodjaev, Bakhodir; Tojiboev, Akmaljon
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2025
Journal volume	81
Journal issue	Pt 4
Pages of publication	271 - 274
a	15.8765 ± 0.0004 Å
b	16.2381 ± 0.0003 Å
c	8.0187 ± 0.0002 Å
α	90°
β	92.984 ± 0.002°
γ	90°
Cell volume	2064.45 ± 0.08 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1652
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
299507 (current)	2025-05-03	cif/ Adding structures of 2312829 via cif-deposit CGI script.	2312829.cif