Information card for entry 7716699

Structure parameters

• Formula: C12 H40 Bi I9 N4
• Calculated formula: C12 H40 Bi I9 N4
• 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: 12.0301 ± 0.0006 Å
• b: 12.3589 ± 0.0006 Å
• c: 12.6623 ± 0.0006 Å
• α: 90°
• β: 101.999 ± 0.005°
• γ: 90°
• Cell volume: 1841.48 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No