Crystallography Open Database

Information card for entry 7226689

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Structure parameters

Chemical name	Complex 2
Formula	C68 H72 Cl4 Cu4 N4 O12
Calculated formula	C68 H72 Cl4 Cu4 N4 O12
SMILES	c12ccc(cc1C=[N]1[Cu]3(O2)[O](C[C@@H]1Cc1ccccc1)[Cu]12([N](=Cc4c(O1)ccc(c4)Cl)[C@@H](Cc1ccccc1)C[O]2[Cu]12[N](=Cc4c(O1)ccc(c4)Cl)[C@@H](Cc1ccccc1)C[O]2[Cu]12([N](=Cc4c(O1)ccc(c4)Cl)[C@@H](Cc1ccccc1)C[O]32)[OH]C)[OH]C)Cl.OC.OC
Title of publication	Two Chiral Alkanolamine Schiff base Cu (II) Complexes as Potential Anticancer Agents: Synthesis, Structure, DNA/protein Interactions and Cytotoxic Activity
Authors of publication	Niu, Meiju; Li, Zhen; Li, Xiao; Huang, Xianqiang
Journal of publication	RSC Adv.
Year of publication	2016
a	23.21 ± 0.002 Å
b	14.8103 ± 0.0012 Å
c	11.4882 ± 0.0009 Å
α	90°
β	113.779 ± 0.002°
γ	90°
Cell volume	3613.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1748
Residual factor for significantly intense reflections	0.0801
Weighted residual factors for significantly intense reflections	0.1251
Weighted residual factors for all reflections included in the refinement	0.1621
Goodness-of-fit parameter for all reflections included in the refinement	0.839
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.	7226689.cif
186875	2016-10-01	cif/ Adding structures of 7226688, 7226689 via cif-deposit CGI script.	7226689.cif