Crystallography Open Database

Information card for entry 7233660

Preview

Coordinates	7233660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H16 F3 N O3 S
Calculated formula	C7 H16 F3 N O3 S
SMILES	S(=O)(=O)(C(F)(F)F)[O-].[NH2+](C(C)C)C(C)C
Title of publication	A sequentially switchable molecular dielectric material tuned by the stepwise ordering in diisopropylammonium trifluoromethanesulfonate
Authors of publication	Pan Zhou; Zhihua Sun; Shuquan Zhang; Chengmin Ji; Sangen Zhao; Ren-Gen Xiong; Junhua Luo
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	2341 - 2345
a	7.9073 ± 0.0008 Å
b	8.8169 ± 0.0009 Å
c	8.9215 ± 0.0007 Å
α	90.964 ± 0.007°
β	93.394 ± 0.007°
γ	91.206 ± 0.008°
Cell volume	620.66 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0997
Residual factor for significantly intense reflections	0.0889
Weighted residual factors for significantly intense reflections	0.25
Weighted residual factors for all reflections included in the refinement	0.2618
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
217997 (current)	2019-09-05	cif/ Adding structures of 7233660 via cif-deposit CGI script.	7233660.cif