Crystallography Open Database

Information card for entry 7055671

Preview

Coordinates	7055671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19.5 H21 Br2 N3 O0.5 Zn
Calculated formula	C19.5 H21 Br2 N3 O0.5 Zn
SMILES	CO.Br[Zn]12(Br)[n]3c(cccc3)C[N]2(c2ccc(cc2)C)Cc2[n]1cccc2
Title of publication	Two dpa-based zinc(ii) complexes as potential anticancer agents: nuclease activity, cytotoxicity and apoptosis studies
Authors of publication	Zhang, Yong-Po; Ma, Zhong-Ying; Gao, Chun-Yan; Qiao, Xin; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Xu, Jing-Yuan; Zhao, Jin-Zhong; Yan, Shi-Ping
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	9
Pages of publication	7513
a	8.779 ± 0.0018 Å
b	13.826 ± 0.003 Å
c	17.18 ± 0.003 Å
α	83.27 ± 0.03°
β	83.26 ± 0.03°
γ	88.18 ± 0.03°
Cell volume	2056.3 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1318
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1283
Weighted residual factors for all reflections included in the refinement	0.1547
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
192220 (current)	2017-02-17	cif/7 Fixing Z values and formulae	7055671.cif
186456	2016-09-10	cif/ Updating files of 7055671, 7055672, 7055673 Original log message: Adding full bibliography for 7055671--7055673.cif.	7055671.cif
184092	2016-07-01	cif/ Adding structures of 7055671, 7055672, 7055673 via cif-deposit CGI script.	7055671.cif