Crystallography Open Database

Information card for entry 1547709

Preview

Coordinates	1547709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H14 I N O4
Calculated formula	C7.9992 I O4
Title of publication	Quinuclidinium salt ferroelectric thin-film with duodecuple-rotational polarization-directions
Authors of publication	Yu-Meng You; Yuan-Yuan Tang; Peng-Fei Li; Han-Yue Zhang; Wan-Ying Zhang; Yi Zhang; Heng-Yun Ye; Takayoshi Nakamura; Ren-Gen Xiong
Journal of publication	Nature Communications
Year of publication	2017
Journal volume	8
Pages of publication	14934
a	6.437 ± 0.008 Å
b	6.437 ± 0.008 Å
c	6.437 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	266.7 ± 0.6 Å³
Cell temperature	338 ± 2 K
Ambient diffraction temperature	338 ± 2 K
Number of distinct elements	5
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.1468
Residual factor for significantly intense reflections	0.145
Weighted residual factors for significantly intense reflections	0.3081
Weighted residual factors for all reflections included in the refinement	0.3087
Goodness-of-fit parameter for all reflections included in the refinement	1.402
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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