Information card for entry 7245050

Structure parameters

• Common name: (C5H5NBr)SbI4
• Formula: C10 H10 Br2 I8 N2 Sb2
• Calculated formula: C10 H10 Br2 I8 N2 Sb2
• Title of publication: Insight on noncovalent interactions and orbital constructs in low-dimensional antimony halide perovskites
• Authors of publication: Nicholas, Aaron D.; Garman, Leah C.; Albano, Nicolina; Cahill, Chris
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2022
• a: 9.4289 ± 0.0011 Å
• b: 20.043 ± 0.002 Å
• c: 7.5474 ± 0.0006 Å
• α: 90°
• β: 94.723 ± 0.004°
• γ: 90°
• Cell volume: 1421.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.26
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No