Information card for entry 7721173

Structure parameters

• Formula: C20 H28 Br4 Cl2 F2 Mn P2
• Calculated formula: C20 H28 Br4 Cl2 F2 Mn P2
• Title of publication: Halogen Substitution of Aromatic Cations for Phase Transition Control and High-Efficiency Luminescence in 0D Manganese-Based Hybrid Perovskites
• Authors of publication: Yu, Kaijian; Ye, Qiong; Wu, Yuechuan; Yang, Yawen
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 9.4186 ± 0.0008 Å
• b: 10.5532 ± 0.0006 Å
• c: 15.386 ± 0.0012 Å
• α: 99.426 ± 0.005°
• β: 90.233 ± 0.007°
• γ: 93.68 ± 0.006°
• Cell volume: 1505.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No