Crystallography Open Database

Information card for entry 4118878

Preview

Coordinates	4118878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H18 Br4 Fe N
Calculated formula	C6.99975 H17.9993 Br4 Fe N
Title of publication	Above-Room-Temperature Magnetodielectric Coupling in a Possible Molecule-Based Multiferroic: Triethylmethylammonium Tetrabromoferrate(III)
Authors of publication	Hong-Ling Cai; Yi Zhang; Da-Wei Fu; Wen Zhang; Tao Liu; Hirofumi Yoshikawa; Kunio Awaga; Ren-Gen Xiong
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	18487 - 18490
a	16.4064 ± 0.0011 Å
b	16.4064 ± 0.0011 Å
c	13.5188 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	3151.3 ± 0.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.1457
Residual factor for significantly intense reflections	0.1378
Weighted residual factors for significantly intense reflections	0.4237
Weighted residual factors for all reflections included in the refinement	0.4495
Goodness-of-fit parameter for all reflections included in the refinement	1.487
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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