Information card for entry 7246726

Structure parameters

• Formula: C30 H30 I30 N6 Te3
• Calculated formula: C30 H30 I30 N6 Te3
• Title of publication: Bandgap modification in 0D tellurium iodide perovskite derivatives via incorporation of polyiodide species
• Authors of publication: Walusiak, Benjamin W.; Raghavan, Adharsh; Cahill, Christopher L.
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 13477 - 13492
• a: 15.0194 ± 0.001 Å
• b: 15.0194 ± 0.001 Å
• c: 33.038 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6454.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No