Crystallography Open Database

Information card for entry 2023490

2023489 << 2023490 >> 2023491

Preview

Coordinates	2023490.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[aqua[μ~3~-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^:κ^2^<i>O</i>,<i>O</i>':κ^2^<i>O</i>'',<i>O</i>''']-μ-chloridocopper(II)cadmium(II]] 1.25-hydrate]
Formula	C16 H36.5 Cd Cl2 Cu N6 O6.25
Calculated formula	C16 H36.5 Cd Cl2 Cu N6 O6.25
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	10.1565 ± 0.0004 Å
b	10.4249 ± 0.0005 Å
c	14.6531 ± 0.0007 Å
α	80.305 ± 0.003°
β	80.117 ± 0.003°
γ	64.149 ± 0.003°
Cell volume	1367.82 ± 0.11 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 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	0.0783
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.1487
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
299503 (current)	2025-05-03	cif/ Adding structures of 2023489, 2023490 via cif-deposit CGI script.	2023490.cif