Information card for entry 7245048

Structure parameters

• Common name: C5H6NSbCl4
• Formula: C5 H6 Cl4 N Sb
• Calculated formula: C5 H6 Cl4 N Sb
• SMILES: [Sb](Cl)(Cl)([Cl-])Cl.[nH+]1ccccc1
• 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: 7.597 ± 0.006 Å
• b: 8.988 ± 0.007 Å
• c: 9.242 ± 0.008 Å
• α: 88.53 ± 0.03°
• β: 68.29 ± 0.03°
• γ: 65.01 ± 0.02°
• Cell volume: 525 ± 0.8 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: 0.1298
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No