Crystallography Open Database

Information card for entry 2242536

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Structure parameters

Chemical name	Bis(1-ethyl-3-methylimidazolium) tetra-μ-acetato-bis[chloridocuprate(II)]
Formula	C20 H34 Cl2 Cu2 N4 O8
Calculated formula	C20 H34 Cl2 Cu2 N4 O8
SMILES	[Cu]1234([Cu](Cl)([O]=C(O2)C)(OC(=[O]4)C)([O]=C(O3)C)OC(=[O]1)C)Cl.n1(cc[n+](c1)CC)C.n1(cc[n+](c1)CC)C
Title of publication	Structure of copper(II) complexes grown from ionic liquids ‒ 1-ethyl-3-methylimidazolium acetate or chloride
Authors of publication	Serov, Nikita Yu.; Shtyrlin, Valery G.; Islamov, Daut R.; Kataeva, Olga N.; Krivolapov, Dmitry B.
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	7
Pages of publication	981 - 986
a	8.2264 ± 0.0014 Å
b	12.956 ± 0.002 Å
c	13.173 ± 0.002 Å
α	90°
β	96.471 ± 0.003°
γ	90°
Cell volume	1395 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0762
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
208532 (current)	2018-06-19	cif/ hkl/ Adding structures of 2242536, 2242537, 2242538, 2242539 via cif-deposit CGI script.	2242536.cif 2242536.hkl