Crystallography Open Database

Information card for entry 4134253

Preview

Coordinates	4134253.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	14.8771 ± 0.0009 Å
b	9.4425 ± 0.0005 Å
c	5.8322 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	819.29 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0585
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.152
Weighted residual factors for all reflections included in the refinement	0.1569
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4134253.html