Crystallography Open Database

Information card for entry 2023489

2023488 << 2023489 >> 2023490

Preview

Coordinates	2023489.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	[3,10-Bis(3-carboxypropyl)-1,3,5,8,10,12-hexaazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^5^,<i>N</i>^8^,<i>N</i>^12^]dichloridocopper(II)
Formula	C16 H34 Cl2 Cu N6 O4
Calculated formula	C16 H34 Cl2 Cu N6 O4
Title of publication	Synthesis and structural characterization of the dichloride complex formed by carboxy-functionalized Cu(diazacyclam)2+ cation and its heterometallic coordination polymer with CdCl2
Authors of publication	Tsymbal, Liudmyla V.; Andriichuk, Irina L.; Stoica, Alexandru-Constantin; Lampeka, Yaroslaw D.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	6
a	10.0036 ± 0.0005 Å
b	15.8231 ± 0.0007 Å
c	6.9325 ± 0.0003 Å
α	90°
β	99.808 ± 0.002°
γ	90°
Cell volume	1081.29 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0447
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
299503 (current)	2025-05-03	cif/ Adding structures of 2023489, 2023490 via cif-deposit CGI script.	2023489.cif