Crystallography Open Database

Information card for entry 4127751

Preview

Coordinates	4127751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H40 I10 N4 Pb3
Calculated formula	C12 H40 I10 N4 Pb3
Title of publication	High-Temperature Antiferroelectric of Lead Iodide Hybrid Perovskites.
Authors of publication	Han, Shiguo; Liu, Xitao; Liu, Yi; Xu, Zhiyun; Li, Yaobin; Hong, Maochun; Luo, Junhua; Sun, Zhihua
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	32
Pages of publication	12470 - 12474
a	51.236 ± 0.005 Å
b	8.7266 ± 0.0009 Å
c	9.1242 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	4079.6 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1297
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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