Crystallography Open Database

Information card for entry 2242539

Preview

Coordinates	2242539.cif
Structure factors	2242539.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(1-ethyl-3-methylimidazolium) tetra-μ-acetato-bis[aquacopper(II)] tetra-μ-acetato-bis[acetatocuprate(II)] dihydrate
Formula	C32 H60 Cu4 N4 O24
Calculated formula	C32 H60 Cu4 N4 O24
SMILES	[Cu]1234([Cu]([O]=C(O3)C)(OC(=[O]1)C)([O]=C(O4)C)(OC(=[O]2)C)[OH2])[OH2].[Cu]1234([Cu]([O]=C(O1)C)(OC(=[O]2)C)([O]=C(O4)C)(OC(=[O]3)C)OC(=O)C)OC(=O)C.O.O.n1(c[n+](cc1)C)CC.n1(c[n+](cc1)C)CC
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	7.9526 ± 0.0005 Å
b	8.0951 ± 0.0005 Å
c	18.8886 ± 0.0011 Å
α	79.177 ± 0.0016°
β	78.95 ± 0.0016°
γ	89.932 ± 0.0015°
Cell volume	1171.46 ± 0.12 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	1.418
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.	2242539.cif 2242539.hkl