Information card for entry 7245055

Structure parameters

• Common name: C5H6NSbBr4
• Formula: C5 H6 Br4 N Sb
• Calculated formula: C5 H6 Br4 N Sb
• SMILES: [Sb](Br)([Br-])(Br)Br.c1cccc[nH+]1
• 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: 7.592 ± 0.002 Å
• b: 8.6466 ± 0.0018 Å
• c: 8.775 ± 0.002 Å
• α: 84.957 ± 0.007°
• β: 89.797 ± 0.009°
• γ: 84.688 ± 0.009°
• Cell volume: 571.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No