Information card for entry 7245053

Structure parameters

• Common name: C5H5NSbCl6
• Formula: C15 H15 Cl12 N3 Sb2
• Calculated formula: C15 H15 Cl12 N3 Sb2
• SMILES: [Sb]([Cl-])(Cl)(Cl)Cl.[nH+]1ccc(Cl)cc1.Clc1cc[nH+]cc1.[Sb]([Cl-])(Cl)(Cl)Cl.Clc1cc[nH+]cc1.[Cl-]
• 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: 8.5816 ± 0.0007 Å
• b: 12.1045 ± 0.0007 Å
• c: 14.9113 ± 0.0012 Å
• α: 105.975 ± 0.003°
• β: 91.902 ± 0.003°
• γ: 95.118 ± 0.003°
• Cell volume: 1480.47 ± 0.19 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: 0.035
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No