Crystallography Open Database

Information card for entry 7248125

Preview

Coordinates	7248125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 F6 N4 O4 P
Calculated formula	C19 H19 F6 N4 O4 P
SMILES	[P](F)(F)(F)(F)(F)[F-].O=C(NNC(=O)C[n+]1ccc(c2ccncc2)cc1)c1c(O)cccc1.O
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	5.7747 ± 0.0004 Å
b	12.6277 ± 0.001 Å
c	28.442 ± 0.002 Å
α	90°
β	95.394 ± 0.002°
γ	90°
Cell volume	2064.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.078
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	7248125.cif
289782	2024-02-11	cif/ Adding structures of 7248124, 7248125, 7248126 via cif-deposit CGI script.	7248125.cif