Crystallography Open Database

Information card for entry 4135513

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Coordinates	4135513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H16 Br4 N P Pb
Calculated formula	C5 H16 Br4 N P Pb
Title of publication	Large Electrostrictive Coefficient in a Two-Dimensional Hybrid Perovskite Ferroelectric.
Authors of publication	Zhang, Han-Yue; Zhang, Zhi-Xu; Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Yi; Xiong, Ren-Gen
Journal of publication	Journal of the American Chemical Society
Year of publication	2021
Journal volume	143
Journal issue	3
Pages of publication	1664 - 1672
a	6.0177 ± 0.0003 Å
b	12.0789 ± 0.0005 Å
c	9.9796 ± 0.0004 Å
α	90°
β	90.145 ± 0.004°
γ	90°
Cell volume	725.39 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1764
Weighted residual factors for all reflections included in the refinement	0.1774
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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