Crystallography Open Database

Information card for entry 7220761

7220760 << 7220761 >> 7220762

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Structure parameters

Formula	C22 H29 Cl2 Cu2 N5 O7
Calculated formula	C22 H29 Cl2 Cu2 N5 O7
SMILES	[Cu]123Oc4c([N]1=C1C(O[Cu]5(O1)([OH2])[n]1ccccc1c1cccc[n]51)=[N]2CCC[NH]3C)cc(Cl)cc4.[Cl-].O.O.O
Title of publication	Synthesis and structure of new dicopper(ii) complexes bridged by asymmetric N,N′-bis(substituted)oxamides: in vitro anticancer activity and molecular docking studies based on bio-macromolecular interaction
Authors of publication	Zheng, Kang; Jiang, Liu; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei
Journal of publication	RSC Adv.
Year of publication	2015
Journal volume	5
Journal issue	64
Pages of publication	51730
a	10.9647 ± 0.0008 Å
b	11.4494 ± 0.0009 Å
c	11.6578 ± 0.0009 Å
α	85.912 ± 0.001°
β	74.68 ± 0.001°
γ	71.026 ± 0.001°
Cell volume	1334.64 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	7220761.cif
139125	2015-06-12	cif/ Adding structures of 7220760, 7220761 via cif-deposit CGI script.	7220761.cif