Crystallography Open Database

Information card for entry 7240545

Preview

Coordinates	7240545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 Cl2 Ga N4 S
Calculated formula	C20 H23 Cl2 Ga N4 S
SMILES	[Ga]12(SC(=N[N]1=C(c1ccccc1)c1[n]2cccc1)N(C1CCCCC1)C)(Cl)Cl
Title of publication	Synthesis, crystal structure and antiproliferative mechanisms of gallium(iii) complexes with benzoylpyridine thiosemicarbazones
Authors of publication	Qi, Jinxu; Liu, Taichen; Zhao, Wei; Zheng, Xinhua; Wang, Yihong
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	32
Pages of publication	18553 - 18559
a	10.6296 ± 0.0006 Å
b	12.6093 ± 0.0008 Å
c	16.8042 ± 0.0011 Å
α	90°
β	100.854 ± 0.001°
γ	90°
Cell volume	2212 ± 0.2 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	0.0529
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
258002 (current)	2020-10-06	cif/ Updating files of 7240545 Original log message: Adding full bibliography for 7240545.cif.	7240545.cif
252128	2020-05-18	cif/ Adding structures of 7240545 via cif-deposit CGI script.	7240545.cif