Crystallography Open Database

Information card for entry 4129081

Preview

Coordinates	4129081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 Cl4 F2 N2 Pb
Calculated formula	C14 H18 Cl4 F2 N2 Pb
Title of publication	Two-dimensional Organic-Inorganic Perovskite Ferroelectric Semiconductor with the Fluorinated Aromatic Spacers.
Authors of publication	Shi, Ping-Ping; Lu, Si-Qi; Song, Xian-Jiang; Chen, Xiao-Gang; Liao, Wei-Qiang; Li, Peng-Fei; Tang, Yuan-Yuan; Xiong, Ren-Gen
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
a	17.3916 ± 0.0013 Å
b	7.5212 ± 0.0005 Å
c	7.7601 ± 0.0005 Å
α	90°
β	93.879 ± 0.006°
γ	90°
Cell volume	1012.74 ± 0.12 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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