Crystallography Open Database

Information card for entry 4132589

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Coordinates	4132589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H30 Br7 Mn2 N3
Calculated formula	C9 H30 Br7 Mn2 N3
Title of publication	Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).
Authors of publication	Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	26
Pages of publication	8110 - 8113
a	14.7885 ± 0.0005 Å
b	14.7885 ± 0.0005 Å
c	6.6738 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	1264.01 ± 0.08 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	186
Hermann-Mauguin space group symbol	P 63 m c
Hall space group symbol	P 6c -2c
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0765
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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