Crystallography Open Database

Information card for entry 7209656

7209655 << 7209656 >> 7209657

Preview

Coordinates	7209656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H6 F4 N2 O4
Calculated formula	C11 H6 F4 N2 O4
SMILES	Fc1c(F)c(C(=O)[O-])c(F)c(F)c1C(=O)O.[nH]1cc[nH+]c1
Title of publication	A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds
Authors of publication	Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	15
Pages of publication	2835
a	9.7141 ± 0.0019 Å
b	7.23 ± 0.0014 Å
c	17.407 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1222.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
180427 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/96.	7209656.cif
86064	2013-05-09	cif/ Adding structures of 7209649, 7209650, 7209651, 7209652, 7209653, 7209654, 7209655, 7209656 via cif-deposit CGI script.	7209656.cif