Information card for entry 7716694

Structure parameters

• Formula: C12 H40 Bi0.27 I9 N4 Sb0.73
• Calculated formula: C12 H40 Bi0.268 I9 N4 Sb0.732
• Title of publication: (C₃H₇NH₃)₄Bi_1-<i>x</i>Sb_<i>x</i>I₉: 0D hybrid halide perovskite-like compounds with isolated triiodide units.
• Authors of publication: Pradhan, Abinash; Rana, Rajanikanta; Rajaraman, Gopalan; Pradhan, Monalisa; Samal, Saroj L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 32
• Pages of publication: 13628 - 13637
• a: 12.5786 ± 0.0006 Å
• b: 12.1093 ± 0.0006 Å
• c: 11.9152 ± 0.0006 Å
• α: 90°
• β: 102.841 ± 0.005°
• γ: 90°
• Cell volume: 1769.51 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0656
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No