Crystallography Open Database

Information card for entry 1551519

Preview

Coordinates	1551519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H58 N14 S4 Zn2
Calculated formula	C38 H58 N14 S4 Zn2
SMILES	[Zn]123SC(=N[N]1=C(c1nc(C(=[N]4[Zn]56(SC(=N[N]5=C(c5cccc(C(=[N]2N=C(NC(C)(C)C)S3)C)[n]65)C)NC(C)(C)C)SC(=N4)NC(C)(C)C)C)ccc1)C)NC(C)(C)C
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	13.4772 ± 0.0005 Å
b	28.625 ± 0.0008 Å
c	14.2565 ± 0.0005 Å
α	90°
β	106.245 ± 0.004°
γ	90°
Cell volume	5280.4 ± 0.3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.0936
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1606
Weighted residual factors for all reflections included in the refinement	0.1861
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.7103 Å
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.	1551519.cif
216132	2019-06-20	cif/ Adding structures of 1551516, 1551517, 1551518, 1551519, 1551520 via cif-deposit CGI script.	1551519.cif