Crystallography Open Database

Information card for entry 7248126

Preview

Coordinates	7248126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 F6 N5 O4 P
Calculated formula	C22 H24 F6 N5 O4 P
SMILES	[P](F)(F)(F)(F)(F)[F-].O=C(NNC(=O)c1c(O)cccc1)C[n+]1ccc(c2ccncc2)cc1.O=CN(C)C
Title of publication	Crystal structures and stimuli-responsive properties for three novel D–A type salicylhydrazide–viologen compounds with free radical properties under ambient conditions
Authors of publication	Xu, Yu-Ru; Zheng, Wen-Hui; Fang, Zong-Bin; Huang, Jian-Cai; Wu, Shu-Ting
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	11
Pages of publication	1527 - 1533
a	22.036 ± 0.011 Å
b	10.119 ± 0.005 Å
c	22.787 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	5081 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.1386
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1323
Weighted residual factors for all reflections included in the refinement	0.1675
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
290897 (current)	2024-04-05	cif/ Updating files of 7248124, 7248125, 7248126 Original log message: Adding full bibliography for 7248124--7248126.cif.	7248126.cif
289782	2024-02-11	cif/ Adding structures of 7248124, 7248125, 7248126 via cif-deposit CGI script.	7248126.cif