Crystallography Open Database

Information card for entry 7055019

Preview

Coordinates	7055019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H34 Cl Cu N3 O4
Calculated formula	C37 H34 Cl Cu N3 O4
SMILES	c1cccc2c3cc(c4ccc(C)cc4)cc4c5cccc[n]5[Cu]([n]12)([n]34)(OC(=O)[C@H](c1ccc2cc(ccc2c1)OC)C)Cl.CO
Title of publication	Structural modeling, in vitro antiproliferative activity, and the effect of substituents on the DNA fastening and scission actions of heteroleptic copper(ii) complexes with terpyridines and naproxen
Authors of publication	Mahendiran, Dharmasivam; Gurumoorthy, Perumal; Gunasekaran, Krishnasamy; Senthil Kumar, Raju; Rahiman, Aziz Kalilur
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	10
Pages of publication	7895
a	8.6469 ± 0.0007 Å
b	34.562 ± 0.003 Å
c	11.4333 ± 0.001 Å
α	90°
β	109.165 ± 0.005°
γ	90°
Cell volume	3227.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1407
Residual factor for significantly intense reflections	0.0994
Weighted residual factors for significantly intense reflections	0.2307
Weighted residual factors for all reflections included in the refinement	0.2528
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
162108 (current)	2015-10-09	cif/ Updating files of 7055019, 7055020 Original log message: Adding full bibliography for 7055019--7055020.cif.	7055019.cif
152509	2015-07-24	cif/ Adding structures of 7055019, 7055020 via cif-deposit CGI script.	7055019.cif