Crystallography Open Database

Information card for entry 7233942

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Coordinates	7233942.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H12 Cl F2 N O4
Calculated formula	C7 H12 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	5.8521 ± 0.0003 Å
b	7.517 ± 0.0004 Å
c	12.737 ± 0.0006 Å
α	90°
β	94.458 ± 0.005°
γ	90°
Cell volume	558.61 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0986
Residual factor for significantly intense reflections	0.0874
Weighted residual factors for significantly intense reflections	0.1571
Weighted residual factors for all reflections included in the refinement	0.1629
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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