Crystallography Open Database

Information card for entry 7713518

Preview

Coordinates	7713518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H30.5 Cl F3 N O9 S
Calculated formula	C15 H30.5 Cl F3 N O9 S
Title of publication	2-Chloroethylamine·Trifluoromethanesulfonate Combined with 18-Crown-6: a Ferroelectric with Excellent Dielectric Switching Properties
Authors of publication	Song, Ning; Ying, Ting-Ting; Tan, Yu-Hui; Tang, Yun Zhi; Liao, Juan; Wang, Li Juan; Wang, Fang Xin; Wan, Ming-Yang
Journal of publication	Dalton Transactions
Year of publication	2023
a	17.33 ± 0.0006 Å
b	11.3842 ± 0.0005 Å
c	23.0199 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4541.6 ± 0.3 Å³
Cell temperature	200.01 ± 0.1 K
Ambient diffraction temperature	200.01 ± 0.1 K
Number of distinct elements	7
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	0.1521
Residual factor for significantly intense reflections	0.1179
Weighted residual factors for significantly intense reflections	0.2916
Weighted residual factors for all reflections included in the refinement	0.3191
Goodness-of-fit parameter for all reflections included in the refinement	1.163
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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