Crystallography Open Database

Information card for entry 7063009

Preview

Coordinates	7063009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 F9 N3 O9 Zn1.5
Calculated formula	C21 H15 F9 N3 O9 Zn1.5
Title of publication	Trifluoromethyl-pyridine carboxylic acid Zn(ii) complexes: isomeric effects on coordination and biological activity
Authors of publication	Zhu, Xiaoshuang; Yang, Yanhong; Li, Bing; Liang, Jiawei; Fu, Shoufeng; Wu, Hongyan; He, Jiaxing; Chen, Xiaoyan
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	10
Pages of publication	4558 - 4564
a	17.2579 ± 0.001 Å
b	6.543 ± 0.0004 Å
c	22.8388 ± 0.0014 Å
α	90°
β	95.849 ± 0.002°
γ	90°
Cell volume	2565.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1409
Residual factor for significantly intense reflections	0.075
Weighted residual factors for significantly intense reflections	0.1528
Weighted residual factors for all reflections included in the refinement	0.175
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
290225 (current)	2024-03-04	cif/ Updating files of 7063009, 7063010 Original log message: Adding full bibliography for 7063009--7063010.cif.	7063009.cif
289746	2024-02-08	cif/ Adding structures of 7063009, 7063010 via cif-deposit CGI script.	7063009.cif