Information card for entry 1576950

Structure parameters

• Formula: C9 H20 Br4 Mn N2
• Calculated formula: C9 H20 Br4 Mn N2
• Title of publication: Rotational symmetry dication assembling ferroelectric, thermochromic and circularly polarized luminescent multifunctional manganese(ii) bromide hybrid.
• Authors of publication: Yuan, Jiayi; Xu, Yu; Zhai, Lu; Hei, Shan-Shan; Huang, Jianyi; Ning, Weihua; Cai, Hong-Ling; Ren, Xiao-Ming
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 5965 - 5971
• a: 14.4907 ± 0.0016 Å
• b: 14.4907 ± 0.0016 Å
• c: 13.6423 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2480.8 ± 0.5 ų
• Cell temperature: 438 ± 2 K
• Ambient diffraction temperature: 438 ± 2 K
• Number of distinct elements: 5
• Space group number: 158
• Hermann-Mauguin space group symbol: P 3 c 1
• Hall space group symbol: P 3 -2"c
• Residual factor for all reflections: 0.1841
• Residual factor for significantly intense reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.263
• Weighted residual factors for all reflections included in the refinement: 0.3199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No