Crystallography Open Database

Information card for entry 4134255

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Coordinates	4134255.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	14.9183 ± 0.0009 Å
b	5.8648 ± 0.0003 Å
c	9.4829 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	829.69 ± 0.08 Å³
Cell temperature	423 ± 2 K
Ambient diffraction temperature	423 ± 2 K
Number of distinct elements	5
Space group number	51
Hermann-Mauguin space group symbol	P m m a
Hall space group symbol	-P 2a 2a
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1422
Weighted residual factors for all reflections included in the refinement	0.1472
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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