Information card for entry 7245049

Structure parameters

• Common name: C5H6NSbI4
• Formula: C5 H6 I4 N Sb
• Calculated formula: C5 H6 I4 N Sb
• 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: 12.62 ± 0.005 Å
• b: 13.647 ± 0.008 Å
• c: 8.046 ± 0.003 Å
• α: 90°
• β: 95.692 ± 0.016°
• γ: 90°
• Cell volume: 1378.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No