Crystallography Open Database

Information card for entry 8106905

Preview

Coordinates	8106905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H56 F2 N6 O16 Zn2
Calculated formula	C60 H56 F2 N6 O16 Zn2
Title of publication	Crystal structure of diaquabis(μ2-biphenyl-2,2′-dicarboxylato-κ2 O:O′)bis(1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylato)zinc(II), C60H56N6Zn2O16F2
Authors of publication	An, Zhe; Zhu, Ling; Zhao, Xin-Hua
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	2
Pages of publication	451 - 453
a	9.4907 ± 0.0015 Å
b	11.6769 ± 0.0019 Å
c	13.905 ± 0.002 Å
α	110.882 ± 0.002°
β	101.247 ± 0.002°
γ	92.841 ± 0.002°
Cell volume	1400.1 ± 0.4 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	0.0452
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0872
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	1.148
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
281778 (current)	2023-03-09	cif/ Adding structures of 8106905 via cif-deposit CGI script.	8106905.cif