Crystallography Open Database

Information card for entry 7223434

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Structure parameters

Chemical name	(N-(4-chloro-2-(((2-(phenylthio)phenyl)imino)methyl)phenoxide))-(4,4?-dimethyl-2,2?- bipyridine)-coppermonoperchlorate
Formula	C31 H25 Cl2 Cu N3 O5 S
Calculated formula	C31 H25 Cl2 Cu N3 O5 S
SMILES	[Cu]12([N](c3c(Sc4ccccc4)cccc3)=Cc3cc(Cl)ccc3O1)[n]1c(cc(cc1)C)c1[n]2ccc(c1)C.Cl(=O)(=O)(=O)[O-]
Title of publication	Mixed-ligand copper(II)-phenolate complexes: structure and studies on DNA/protein binding profile, DNA cleavage, molecular docking and cytotoxicity
Authors of publication	Sellamuthu, Kathiresan; Subramanian, Mugesh; Maruthamuthu, Murugan; Ahamed, Feroze; Annaraj, Jamespandi
Journal of publication	RSC Adv.
Year of publication	2015
a	10.025 Å
b	13.171 Å
c	13.409 Å
α	66.74°
β	82.9°
γ	68.04°
Cell volume	1507.99 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1148
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1427
Weighted residual factors for all reflections included in the refinement	0.1624
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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.	7223434.cif
171404	2015-12-10	cif/ Adding structures of 7223434 via cif-deposit CGI script.	7223434.cif