Information card for entry 1576949

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: 14.2814 ± 0.0011 Å
• b: 13.6741 ± 0.0009 Å
• c: 14.316 ± 0.0016 Å
• α: 90°
• β: 119.883 ± 0.002°
• γ: 90°
• Cell volume: 2424 ± 0.4 ų
• Cell temperature: 293 ± 0.1 K
• Ambient diffraction temperature: 293 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.227
• Weighted residual factors for all reflections included in the refinement: 0.2419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No