Crystallography Open Database

Information card for entry 4134996

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Coordinates	4134996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 F2 I4 N Pb
Calculated formula	C6 F2 I4 N 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	6.6369 ± 0.0011 Å
b	6.6369 ± 0.0011 Å
c	27.272 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1201.3 ± 0.4 Å³
Cell temperature	493 ± 2 K
Ambient diffraction temperature	493 ± 2 K
Number of distinct elements	5
Space group number	121
Hermann-Mauguin space group symbol	I -4 2 m
Hall space group symbol	I -4 2
Residual factor for all reflections	0.425
Residual factor for significantly intense reflections	0.1909
Weighted residual factors for significantly intense reflections	0.4486
Weighted residual factors for all reflections included in the refinement	0.5254
Goodness-of-fit parameter for all reflections included in the refinement	1.174
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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