Crystallography Open Database

Information card for entry 7229497

Preview

Coordinates	7229497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 Br Cu N3 P
Calculated formula	C34 H26 Br Cu N3 P
SMILES	Br[Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2c([nH]c3c2cccc3)c2[n]1c1ccccc1cc2
Title of publication	Mitochondrial and nuclear DNA dual damage induced by 2-(2′-quinolyl)benzimidazole copper complexes with potential anticancer activity
Authors of publication	Zhao, Jin'an; Zhi, Shuangcheng; Yu, Huaibin; Mao, Ruina; Hu, Jiyong; Song, Wei; Zhang, Junshuai
Journal of publication	RSC Advances
Year of publication	2017
Journal volume	7
Journal issue	81
Pages of publication	51162
a	9.81614 ± 0.00017 Å
b	15.9919 ± 0.0003 Å
c	18.4289 ± 0.0003 Å
α	90°
β	96.1399 ± 0.0017°
γ	90°
Cell volume	2876.35 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202595 (current)	2017-11-04	cif/ Adding structures of 7229496, 7229497 via cif-deposit CGI script.	7229497.cif