Crystallography Open Database

Information card for entry 7225530

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Coordinates	7225530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H26 Cu N2 O4
Calculated formula	C23 H26 Cu N2 O4
SMILES	[Cu]123(Oc4ccccc4C=[N]2CCC[N]23CCOCC2)[O]=C(/C=C/c2ccccc2)O1
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	10.2427 ± 0.0003 Å
b	24.3438 ± 0.0006 Å
c	9.3982 ± 0.0004 Å
α	90°
β	114.26 ± 0.004°
γ	90°
Cell volume	2136.46 ± 0.14 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	0.0417
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
183459 (current)	2016-06-14	cif/ Adding structures of 7225529, 7225530 via cif-deposit CGI script.	7225530.cif