Crystallography Open Database

Information card for entry 7712702

Preview

Coordinates	7712702.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H8 Cl2 N4 S Zn
Calculated formula	C7 H8 Cl2 N4 S Zn
SMILES	[Zn]12([S]=C(N[N]1=Cc1[n]2cccc1)N)(Cl)Cl
Title of publication	Development of zinc(II) 2-pyridinecarboxaldehyde thiosemicarbazone complex with remarkable antitumor and antiangiogenic activities
Authors of publication	Jiang, Ming; Pang, Jinhui; Jia, Xiaoying; Chu, Yong; Li, Wenjuan; Liang, Hong; Yang, Feng
Journal of publication	Dalton Transactions
Year of publication	2023
a	7.4725 ± 0.0002 Å
b	13.9731 ± 0.0005 Å
c	10.8484 ± 0.0004 Å
α	90°
β	93.392 ± 0.003°
γ	90°
Cell volume	1130.74 ± 0.07 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.0299
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.065
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation probe	x-ray
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
282130 (current)	2023-03-30	cif/ Adding structures of 7712701, 7712702, 7712703, 7712704, 7712705 via cif-deposit CGI script.	7712702.cif