Crystallography Open Database

Information card for entry 4134993

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Coordinates	4134993.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H24 F4 I4 N2 Pb
Calculated formula	C12 H24 F4 I4 N2 Pb
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	13.835 ± 0.0014 Å
b	9.9882 ± 0.0007 Å
c	8.5383 ± 0.0008 Å
α	90°
β	104.737 ± 0.011°
γ	90°
Cell volume	1141.07 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0934
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.1923
Weighted residual factors for all reflections included in the refinement	0.2031
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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