Crystallography Open Database

Information card for entry 4133055

Preview

Coordinates	4133055.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	23.4058 ± 0.0012 Å
b	9.7389 ± 0.0004 Å
c	21.1026 ± 0.0011 Å
α	90°
β	114.635 ± 0.006°
γ	90°
Cell volume	4372.4 ± 0.4 Å³
Cell temperature	318 ± 2 K
Ambient diffraction temperature	318 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1059
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1651
Weighted residual factors for all reflections included in the refinement	0.1836
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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