Information card for entry 4118881

Structure parameters

• Formula: C7 H18 Br4 Fe N
• Calculated formula: C7.018 H17.97 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: 8.265 ± 0.009 Å
• b: 8.265 ± 0.009 Å
• c: 13.539 ± 0.019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 800.9 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0738
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No