Crystallography Open Database

Information card for entry 7042519

Preview

Coordinates	7042519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Cl2 N4 Zn
Calculated formula	C12 H12 Cl2 N4 Zn
SMILES	[Zn]12(Cl)(Cl)[n]3c(N[N]1=C(c1[n]2cccc1)C)cccc3
Title of publication	Structurally related hydrazone-based metal complexes with different antitumor activities variably induce apoptotic cell death.
Authors of publication	Megger, Dominik A.; Rosowski, Kristin; Radunsky, Christian; Kösters, Jutta; Sitek, Barbara; Müller, Jens
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	14
Pages of publication	4759 - 4767
a	18.739 ± 0.003 Å
b	7.8233 ± 0.0012 Å
c	18.969 ± 0.003 Å
α	90°
β	98.87 ± 0.005°
γ	90°
Cell volume	2747.6 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
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	0.1377
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	0.964
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
203412 (current)	2017-11-21	cif/7 Fixing Z values and formulae accordingly.	7042519.cif
196447	2017-05-06	cif/ Updating files of 7042517, 7042518, 7042519 Original log message: Adding full bibliography for 7042517--7042519.cif.	7042519.cif
194342	2017-03-18	cif/ Adding structures of 7042517, 7042518, 7042519 via cif-deposit CGI script.	7042519.cif