Crystallography Open Database

Information card for entry 4134989

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Coordinates	4134989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H14 I N
Calculated formula	C6 H14 I N
Title of publication	Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.
Authors of publication	Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	22
Pages of publication	10212 - 10218
a	10.7896 ± 0.0006 Å
b	8.1584 ± 0.0004 Å
c	10.5876 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	931.98 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.1017
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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