Crystallography Open Database

Information card for entry 1559038

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Structure parameters

Common name	[CuL2(NO3)2]
Formula	C20 H18 Cu N8 O6
Calculated formula	C20 H18 Cu N8 O6
SMILES	[Cu]12([n]3c(Nc4cccc[n]24)cccc3)([n]2c(Nc3cccc[n]13)cccc2)(ON(=O)=O)ON(=O)=O
Title of publication	Coordination Geometries in Bis(di-2-pyridylamine)copper(II) Complexes. Crystal Structures of [CuL2](PF6)2, [CuL2(NO3)2] and [CuL2(NCS)1.5(ClO4)0.5][CuL2(NCS)]2(ClO4)2 (L = Di-2-pyridylamine)
Authors of publication	Sletten, Jorunn; Svardal, Kristin; Sorensen, Astrid
Journal of publication	Acta Chemica Scandinavica
Year of publication	1993
Journal volume	47
Pages of publication	1091 - 1099
a	8.413 ± 0.002 Å
b	17.096 ± 0.002 Å
c	7.603 ± 0.001 Å
α	90°
β	94.18 ± 0.01°
γ	90°
Cell volume	1090.6 ± 0.3 Å³
Ambient diffraction temperature	294 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.037
Goodness-of-fit parameter for all reflections included in the refinement	2.42
Diffraction radiation probe	x-ray
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.	1559038.cif
256304	2020-09-10	cif/ Adding structures of 1559038 via cif-deposit CGI script.	1559038.cif