Information card for entry 7134532

Structure parameters

• Formula: C14 Br10 N4 Sb2
• Calculated formula: C14 Br10 N4 Sb2
• 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: 14.1887 ± 0.0013 Å
• b: 8.8334 ± 0.0007 Å
• c: 12.4471 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1560.1 ± 0.2 ų
• Cell temperature: 420.02 ± 0.1 K
• Ambient diffraction temperature: 420.02 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No