Information card for entry 7246724

Structure parameters

• Formula: C10 H10 Cl2 I8 N2 Te
• Calculated formula: C10 H10 Cl2 I8 N2 Te
• SMILES: c1[nH+]ccc(c1)Cl.Clc1cc[nH+]cc1.[Te](I)(I)([I-])(I)(I)[I-].II
• 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: 19.0162 ± 0.0014 Å
• b: 10.6017 ± 0.0008 Å
• c: 14.2508 ± 0.0011 Å
• α: 90°
• β: 111.154 ± 0.003°
• γ: 90°
• Cell volume: 2679.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No