Crystallography Open Database

Information card for entry 7126557

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Coordinates	7126557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H13 F I N
Calculated formula	C6 H13 F I N
Title of publication	Highest-T<sub>c</sub> organic enantiomeric ferroelectrics obtained by F/H substitution.
Authors of publication	Ai, Yong; Wu, Dong-Ji; Yang, Meng-Juan; Wang, Pan; He, Wen-Hui; Liao, Wei-Qiang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	51
Pages of publication	7033 - 7036
a	5.9613 ± 0.0003 Å
b	7.6228 ± 0.0003 Å
c	10.163 ± 0.0004 Å
α	90°
β	105.627 ± 0.004°
γ	90°
Cell volume	444.75 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0187
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.0476
Weighted residual factors for all reflections included in the refinement	0.0477
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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