Crystallography Open Database

Information card for entry 1551790

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Structure parameters

Formula	C44 H56 Cu2 N8 O8
Calculated formula	C44 H56 Cu2 N8 O8
SMILES	c1(c(c(C(=O)OCC)n2c1C=[N]1CC[N]3=Cc4c(c(c(C(=O)OCC)n4[Cu]43[N](CC[N]3=Cc5c(c(c(C(=O)OCC)n5[Cu]213)C)C)=Cc1c(C)c(C)c(C(=O)OCC)n41)C)C)C)C
Title of publication	Crystal Structure of a Copper(II) Complex with 1,2-Bis[3,4-dimethyl-5-ethyloxy-carbonyl-pyrrol-2-yl-methyleneamino]ethane
Authors of publication	WANG, Yuan; WU, Wei-Na; YANG, Zheng-Yin
Journal of publication	X-ray Structure Analysis Online
Year of publication	2009
Journal volume	25
Pages of publication	33
a	31.825 ± 0.003 Å
b	10.7775 ± 0.0011 Å
c	28.265 ± 0.003 Å
α	90°
β	101.658 ± 0.003°
γ	90°
Cell volume	9494.7 ± 1.7 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1321
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1395
Goodness-of-fit parameter for all reflections included in the refinement	0.941
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1551790.cif
216402	2019-06-20	cif/ Adding structures of 1551790 via cif-deposit CGI script.	1551790.cif