Crystallography Open Database

Information card for entry 8106722

Preview

Coordinates	8106722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H53 F2 N6 O16.5 Zn2
Calculated formula	C50 H53 F2 N6 O16.5 Zn2
Title of publication	Crystal structure of catena-poly[(μ2-benzene-1,4-dicarboxylato-κ2 O:O′)-(1-ethyl-6-fluoro-7-(4-methylpiperazin-1-ium-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylato-κ2 O,O′)zinc(II)] 1.25 hydrate, C25H26.5N3O8.25FZn
Authors of publication	Hu, Yong-Jun; Jin, Lie; Zhu, Ling; Zhou, Tian
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	6
Pages of publication	923 - 925
a	10.2889 ± 0.0006 Å
b	10.6034 ± 0.0005 Å
c	12.9576 ± 0.0008 Å
α	105.984 ± 0.005°
β	109.785 ± 0.006°
γ	93.257 ± 0.004°
Cell volume	1261.06 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
280823 (current)	2023-02-08	cif/ Adding structures of 8106722 via cif-deposit CGI script.	8106722.cif