Crystallography Open Database

Information card for entry 8107116

Preview

Coordinates	8107116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H57 F2 N6 O16.5 Zn2
Calculated formula	C62 H57 F2 N6 O16.5 Zn2
Title of publication	Crystal structure of bis(biphenyl-2,2′-dicarboxylato-κ2 O:O′)-bis(1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4-dihydroquinoline-3-carboxylato-κ2 O,O′)dizinc(II)2.5 hydrate, C62H57N6Zn2O16.5F2
Authors of publication	Hu, Yong-Jun; Zhu, Ling; An, Zhe; Zhou, Tian
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	4
Pages of publication	1111 - 1113
a	10.026 ± 0.004 Å
b	12.064 ± 0.004 Å
c	13.385 ± 0.005 Å
α	112.473 ± 0.003°
β	105.835 ± 0.004°
γ	91.309 ± 0.004°
Cell volume	1424.5 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.029
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0707
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
282937 (current)	2023-05-02	cif/ Adding structures of 8107116 via cif-deposit CGI script.	8107116.cif