Crystallography Open Database

Information card for entry 1551520

Preview

Coordinates	1551520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H23 Cl2 N7 S2 Zn
Calculated formula	C23 H21 Cl2 N7 S2 Zn
SMILES	[Zn]1234(SC(=N[N]3=C(c3[n]4c(ccc3)C(=[N]2N=C(S1)Nc1ccccc1)C)C)Nc1ccccc1)Cl.[Cl-].[Cl-]
Title of publication	Anticancer and biological properties of a Zn-2,6-diacetylpyridine bis(thiosemicarbazone) complex.
Authors of publication	Yu, Ping; Deng, Jungang; Cai, Jinhua; Zhang, Zhenlei; Zhang, Juzheng; Hamid Khan, Muhammad; Liang, Hong; Yang, Feng
Journal of publication	Metallomics : integrated biometal science
Year of publication	2019
Journal volume	11
Journal issue	8
Pages of publication	1372 - 1386
a	20.55 ± 0.03 Å
b	7.366 ± 0.012 Å
c	17.52 ± 0.03 Å
α	90°
β	105.71 ± 0.03°
γ	90°
Cell volume	2553 ± 7 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0998
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.169
Goodness-of-fit parameter for all reflections included in the refinement	0.973
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
224652 (current)	2019-11-08	cif/ Updating files of 1551516, 1551517, 1551518, 1551519, 1551520 Original log message: Adding full bibliography for 1551516--1551520.cif.	1551520.cif
216132	2019-06-20	cif/ Adding structures of 1551516, 1551517, 1551518, 1551519, 1551520 via cif-deposit CGI script.	1551520.cif