Information card for entry 7131969

Structure parameters

• Formula: C8 H24 Bi0.67 I6 N4
• Calculated formula: C8 H24 Bi0.6667 I6 N4
• Title of publication: A chiral two-dimensional perovskite-like lead-free bismuth(III) iodide hybrid with high phase transition temperature.
• Authors of publication: Peng, Hang; Liu, Qin; Lu, Yan-Zi; Yang, Shu-Jing; Qi, Jun-Chao; Chen, Xiao-Gang; Liao, Wei-Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 7.0067 ± 0.0001 Å
• b: 7.0067 ± 0.0001 Å
• c: 48.305 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2371.48 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No