Crystallography Open Database

Information card for entry 7711880

Preview

Coordinates	7711880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H11 Cl2 In N4 S
Calculated formula	C9 H11 Cl2 In N4 S
SMILES	[In]12(Cl)(SC(=N[N]2=C(c2cccc[n]12)C)NC)Cl
Title of publication	Designing a multitarget In(III) compound to overcome the resistance of lung cancer cells to cisplatin.
Authors of publication	Jiang, Ming; Zhang, Juzheng; Xu, Shihang; Li, Yanping; Li, Wenjuan; Liang, Hong; Yang, Feng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	2
Pages of publication	269 - 280
a	9.2963 ± 0.0004 Å
b	13.7922 ± 0.0006 Å
c	10.8317 ± 0.0005 Å
α	90°
β	100.011 ± 0.004°
γ	90°
Cell volume	1367.66 ± 0.11 Å³
Cell temperature	296 ± 2 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	0.0515
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0804
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
283293 (current)	2023-05-05	cif/ Updating files of 7711878, 7711879, 7711880, 7711881, 7711882 Original log message: Adding full bibliography for 7711878--7711882.cif.	7711880.cif
279791	2022-12-08	cif/ Adding structures of 7711878, 7711879, 7711880, 7711881, 7711882 via cif-deposit CGI script.	7711880.cif