Crystallography Open Database

Information card for entry 7240336

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Structure parameters

Formula	C25 H22 Cu F18 N2 O6
Calculated formula	C25 H22 Cu F18 N2 O6
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	10.0639 ± 0.0011 Å
b	19.418 ± 0.002 Å
c	34.924 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6824.9 ± 1.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170.15 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0582
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7240336.cif
253996	2020-07-06	cif/ Updating files of 7240335, 7240336, 7240337, 7240338 Original log message: Adding full bibliography for 7240335--7240338.cif.	7240336.cif
250916	2020-04-18	cif/ Adding structures of 7240335, 7240336, 7240337, 7240338 via cif-deposit CGI script.	7240336.cif