Crystallography Open Database

Information card for entry 7225529

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Structure parameters

Formula	C22 H26 Cu N2 O4
Calculated formula	C22 H26 Cu N2 O4
SMILES	[Cu]123(Oc4c(C=[N]2CCC[N]23CCOCC2)cccc4)[O]=C(O1)c1ccc(cc1)C
Title of publication	Synthesis, crystal structure, DFT / TDDFT calculation, photophysical properties and DNA binding studies of morpholino moiety ligand based two Cu(II) complexes in combination with carboxylates
Authors of publication	Paul, Aparup; Mistri, Soumen; Bhunia, Apurba; Manna, Soumen; Puschmann, Horst; Manna, Subal Chandra
Journal of publication	RSC Adv.
Year of publication	2016
a	10.7277 ± 0.0003 Å
b	19.7595 ± 0.0004 Å
c	10.9426 ± 0.0003 Å
α	90°
β	115.971 ± 0.004°
γ	90°
Cell volume	2085.31 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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 all reflections	0.0482
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.078
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7225529.cif
183459	2016-06-14	cif/ Adding structures of 7225529, 7225530 via cif-deposit CGI script.	7225529.cif