Information card for entry 7134531

Structure parameters

• Formula: C7 H16 Br5 N2 Sb
• Calculated formula: C7 H16 Br5 N2 Sb
• Title of publication: Three antimony-based organic–inorganic hybrid perovskites (1,4-3.2.2-H2dabcn)SbX5 (X = Cl, Br, I) show progressively decreasing phase transition temperatures and bandgaps
• Authors of publication: Wei, Ying; Zhou, Jie; Zhou, Lin; Wei, Zhenhong
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 47
• Pages of publication: 8600 - 8603
• a: 8.7842 ± 0.0003 Å
• b: 12.4619 ± 0.0003 Å
• c: 13.8984 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1521.43 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No