Crystallography Open Database

Information card for entry 8107271

Preview

Coordinates	8107271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 F2 N2 O4 Zn
Calculated formula	C20 H20 F2 N2 O4 Zn
SMILES	c12cc(ccc1C=[N]1CCOCCOCC[N]3=Cc4c(cc(cc4)F)O[Zn]13O2)F
Title of publication	Crystal structure of {N,N′-bis(4-fluoro-salicylaldehyde)-3,6-dioxa-1,8-diaminooctane-κ4 O,N,N′,O′}zinc(II), C20H20F2N2O4Zn
Authors of publication	Zhao, Ji-Xing; Wang, Xiao-Jun
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	6
Pages of publication	985 - 986
a	8.4062 ± 0.0002 Å
b	10.9987 ± 0.0003 Å
c	11.8247 ± 0.0003 Å
α	97.969 ± 0.001°
β	103.217 ± 0.001°
γ	110.601 ± 0.001°
Cell volume	967.04 ± 0.04 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 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	0.0424
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1167
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
284088 (current)	2023-05-31	cif/ Adding structures of 8107271 via cif-deposit CGI script.	8107271.cif