Crystallography Open Database

Information card for entry 7248124

Preview

Coordinates	7248124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H27 F6 N4 O8 P
Calculated formula	C19 H27 F6 N4 O8 P
SMILES	[P](F)(F)(F)(F)(F)[F-].O=C(NNC(=O)c1c(O)cccc1)C[n+]1ccc(c2ccncc2)cc1.O.O.O.O.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	8.6215 ± 0.0005 Å
b	26.4188 ± 0.0014 Å
c	11.3368 ± 0.0005 Å
α	90°
β	101.383 ± 0.002°
γ	90°
Cell volume	2531.4 ± 0.2 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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.	7248124.cif
289782	2024-02-11	cif/ Adding structures of 7248124, 7248125, 7248126 via cif-deposit CGI script.	7248124.cif