Crystallography Open Database

Information card for entry 7233944

Preview

Coordinates	7233944.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H12 Cl F2 N O4
Calculated formula	C7 H13 Cl F2 N O4
Title of publication	Exceptional dielectric performance induced by the stepwise reversible phase transitions of an organic crystal: betainium chlorodifluoroacetate
Authors of publication	Zhihua Sun; Shuquan Zhang; Chengmin Ji; Tianliang Chen; Junhua Luo
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	10337 - 10342
a	5.8905 ± 0.0003 Å
b	7.5414 ± 0.0005 Å
c	12.7949 ± 0.0007 Å
α	90°
β	95.151 ± 0.005°
γ	90°
Cell volume	566.09 ± 0.06 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1026
Residual factor for significantly intense reflections	0.0862
Weighted residual factors for significantly intense reflections	0.1699
Weighted residual factors for all reflections included in the refinement	0.1799
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7233944.html