Crystallography Open Database

Information card for entry 2311938

2311937 << 2311938 >> 2311939

Preview

Coordinates	2311938.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[[tetrakis(μ-4-azaniumylbutanoato-\ κ^2^<i>O</i>:<i>O</i>')dicopper(II)(<i>Cu</i>—<i>Cu</i>)]-\ μ-chlorido-[diaquadichloridocopper(II)]-μ-chlorido] bis(perchlorate)]
Formula	C16 H40 Cl6 Cu3 N4 O18
Calculated formula	C16 H40 Cl6 Cu3 N4 O18
SMILES	[Cu]1234([Cl][Cu](Cl)([OH2])(Cl)([Cl][Cu]5678[O]=C(CCC[NH3+])O[Cu]8(Cl)([O]=C(O5)CCC[NH3+])(OC(=[O]7)CCC[NH3+])[O]=C(O6)CCC[NH3+])[OH2])[O]=C(CCC[NH3+])O[Cu]4([Cl][Cu](Cl)(Cl)([OH2])[OH2])([O]=C(O1)CCC[NH3+])(OC(=[O]3)CCC[NH3+])[O]=C(O2)CCC[NH3+].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	A new copper(II) coordination polymer containing chains of interconnected paddle-wheel antiferromagnetic clusters.
Authors of publication	Bouheroum, Sofiane; Cherouana, Aouatef; Beghidja, Adel; Dahaoui, Slimane; Rabu, Pierre
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2017
Journal volume	73
Journal issue	Pt 12
Pages of publication	1050 - 1055
a	12.946 ± 0.003 Å
b	12.568 ± 0.003 Å
c	11.044 ± 0.002 Å
α	90°
β	115.18 ± 0.03°
γ	90°
Cell volume	1626.2 ± 0.7 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	0.0588
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
246176 (current)	2019-12-26	cif/ Adding structures of 2311938 via cif-deposit CGI script.	2311938.cif