Crystallography Open Database

Information card for entry 4134254

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Coordinates	4134254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H16 Cl6 N2 Pb2
Calculated formula	C5 H16 Cl6 N2 Pb2
Title of publication	A Three-Dimensional Lead Halide Perovskite-Related Ferroelectric.
Authors of publication	Zhang, Han-Yue; Song, Xian-Jiang; Cheng, Hao; Zeng, Yu-Ling; Zhang, Yi; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	14.9094 ± 0.0006 Å
b	9.4872 ± 0.0004 Å
c	5.8622 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	829.2 ± 0.06 Å³
Cell temperature	393 ± 2 K
Ambient diffraction temperature	393 ± 2 K
Number of distinct elements	5
Space group number	28
Hermann-Mauguin space group symbol	P m a 2
Hall space group symbol	P 2 -2a
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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