Crystallography Open Database

Information card for entry 7227928

Preview

Coordinates	7227928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 N6 O8 S Zn
Calculated formula	C12 H14 N6 O8 S Zn
SMILES	[Zn]12([S]=C(N)N[N]2=Cc2c(=[O]1)[nH]c1c(c2)cc(cc1)C)([OH2])ON(=O)=O.O=N(=O)[O-]
Title of publication	Three novel transition metal complexes of 6-methyl-2-oxo-quinoline-3-carbaldehyde thiosemicarbazone: synthesis, crystal structure, cytotoxicity, and mechanism of action
Authors of publication	Zou, Bi-Qun; Lu, Xing; Qin, Qi-Pin; Bai, Yu-Xia; Zhang, Ye; Wang, Meng; Liu, Yan-Cheng; Chen, Zhen-Feng; Liang, Hong
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	29
Pages of publication	17923
a	7.633 ± 0.015 Å
b	27.01 ± 0.05 Å
c	10.461 ± 0.016 Å
α	90°
β	125.38 ± 0.1°
γ	90°
Cell volume	1758 ± 6 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1461
Residual factor for significantly intense reflections	0.1133
Weighted residual factors for significantly intense reflections	0.2895
Weighted residual factors for all reflections included in the refinement	0.3252
Goodness-of-fit parameter for all reflections included in the refinement	1.431
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
194497 (current)	2017-03-25	cif/ Adding structures of 7227928, 7227929 via cif-deposit CGI script.	7227928.cif