Crystallography Open Database

Information card for entry 7226514

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Structure parameters

Formula	C84 H88 Cu2 N8 O10
Calculated formula	C84 H88 Cu2 N8 O10
SMILES	c1c(ccc[n]1[Cu]([n]1cc(ccc1)C)(OC(=O)c1c(Nc2c(c(ccc2)C)C)cccc1)OC(=O)c1c(Nc2c(c(ccc2)C)C)cccc1)C.O
Title of publication	New copper(II) complexes of anti-inflammatory drug mefenamic acid: a concerted study including synthesis, physicochemical characterization and their biological evaluation
Authors of publication	Sharma, Raj Pal; Kumar, Santosh; Venugopalan, P.; Ferretti, Valeria; Tarushi, Alketa; Psomas, George L.; Witwicki, Maciej
Journal of publication	RSC Adv.
Year of publication	2016
a	11.2953 ± 0.0005 Å
b	11.3767 ± 0.0006 Å
c	16.1337 ± 0.0007 Å
α	93.629 ± 0.003°
β	99.882 ± 0.003°
γ	108.993 ± 0.003°
Cell volume	1915.41 ± 0.16 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.151
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.166
Weighted residual factors for all reflections included in the refinement	0.2003
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	7226514.cif
186317	2016-09-09	cif/ Adding structures of 7226513, 7226514 via cif-deposit CGI script.	7226514.cif