Crystallography Open Database

Information card for entry 8107145

Preview

Coordinates	8107145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H27 F N3 O9.5 S Zn
Calculated formula	C31 H27 F N3 O9.5 S Zn
Title of publication	Crystal structure of catena-poly-[(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate-κ 2 O,O′)-(μ2-4,4′-sulfonyldibenzoato-κ 4 O,O′:O′′,O′′′)zinc(II)] hemihydrate, C31H27ZnFN3O9.5S
Authors of publication	Fan, Zhuo-Wen; Wang, Liang-Liang; Cui, Kuo; Meng, Ying; Liu, Ji-Zhi
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	4
Pages of publication	1203 - 1205
a	10.6434 ± 0.0004 Å
b	12.6191 ± 0.0004 Å
c	12.8532 ± 0.0005 Å
α	93.998 ± 0.003°
β	109.121 ± 0.003°
γ	112.773 ± 0.003°
Cell volume	1465.16 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
283618 (current)	2023-05-09	cif/ Adding structures of 8107145 via cif-deposit CGI script.	8107145.cif