Crystallography Open Database

Information card for entry 4131764

Preview

Coordinates	4131764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C0.21 H0.58 Br0.21 Mn0.05 N0.05
Calculated formula	C0.210442 H0.552411 Br0.210505 Mn0.0526316 N0.0526105
Title of publication	Large Piezoelectric Effect in a Lead-Free Molecular Ferroelectric Thin Film.
Authors of publication	Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	49
Pages of publication	18071 - 18077
a	10.031 ± 0.019 Å
b	10.031 ± 0.019 Å
c	6.977 ± 0.019 Å
α	90°
β	90°
γ	120°
Cell volume	608 ± 2 Å³
Cell temperature	433 ± 2 K
Ambient diffraction temperature	433 ± 2 K
Number of distinct elements	5
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.1973
Residual factor for significantly intense reflections	0.1791
Weighted residual factors for significantly intense reflections	0.3923
Weighted residual factors for all reflections included in the refinement	0.4054
Goodness-of-fit parameter for all reflections included in the refinement	1.41
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4131764.html