Crystallography Open Database

Information card for entry 7240335

Preview

Coordinates	7240335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H30 Cu F18 N2 O6
Calculated formula	C29 H30 Cu F18 N2 O6
SMILES	[Cu]123([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F.n1(c[n+](cc1)CCCCCCCCCC)C
Title of publication	Structural and electronic properties of Cu<sup>II</sup>, Co<sup>II</sup>, and Ni<sup>II</sup>-containing chelate-based ionic liquids.
Authors of publication	Zhao, Chenxuan; Lu, Guodong; Yao, Jia; Li, Haoran
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2020
Journal volume	22
Journal issue	20
Pages of publication	11417 - 11430
a	20.337 ± 0.003 Å
b	10.3082 ± 0.0006 Å
c	19.214 ± 0.002 Å
α	90°
β	94.041 ± 0.011°
γ	90°
Cell volume	4018 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1739
Residual factor for significantly intense reflections	0.0891
Weighted residual factors for significantly intense reflections	0.2499
Weighted residual factors for all reflections included in the refinement	0.3279
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
253996 (current)	2020-07-06	cif/ Updating files of 7240335, 7240336, 7240337, 7240338 Original log message: Adding full bibliography for 7240335--7240338.cif.	7240335.cif
250916	2020-04-18	cif/ Adding structures of 7240335, 7240336, 7240337, 7240338 via cif-deposit CGI script.	7240335.cif