Crystallography Open Database

Information card for entry 2204682

2204681 << 2204682 >> 2204683

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Structure parameters

Chemical name	Bis[4-chloro-2-(2-hydroxyethyliminomethyl)phenolato-κ^2^N,O]copper(II)
Formula	C18 H18 Cl2 Cu N2 O4
Calculated formula	C18 H18 Cl2 Cu N2 O4
SMILES	[Cu]123(Oc4ccc(Cl)cc4C=[N]2CC[OH][Cu]2[N](=Cc4c(O2)ccc(Cl)c4)CC[OH]1)(Oc1ccc(Cl)cc1C=[N]3CCO)[OH]CCN=Cc1cc(Cl)ccc1[O-]
Title of publication	Bis[4-chloro-2-(2-hydroxyethyliminomethyl)phenolato-κ^2^<i>N,O</i>]copper(II)
Authors of publication	Huiyan Liu; Haiying Wang; Dezhong Niu; Zaisheng Lu
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	12
Pages of publication	m1941 - m1942
a	4.9589 ± 0.0012 Å
b	16.872 ± 0.004 Å
c	10.711 ± 0.002 Å
α	90°
β	94.53 ± 0.005°
γ	90°
Cell volume	893.4 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0326
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.071
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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