Crystallography Open Database

Information card for entry 4133059

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Coordinates	4133059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H33 I12 N3 Pb3
Calculated formula	C12 H33 I12 N3 Pb3
Title of publication	A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.
Authors of publication	Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	38
Pages of publication	12296 - 12302
a	23.3952 ± 0.0008 Å
b	9.6647 ± 0.0002 Å
c	21.1827 ± 0.0006 Å
α	90°
β	114.928 ± 0.004°
γ	90°
Cell volume	4343.4 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1186
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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