Information card for entry 7244275

Structure parameters

• Formula: C30 H48 Cl9 N3 Sb2
• Calculated formula: C30 H48 Cl9 N3 Sb2
• Title of publication: Band gap modulation of organic–inorganic Sb(iii) halide by molecular design
• Authors of publication: Wang, Yan-Ning; Tong, Liang; Min-Wan,; Liu, Jing-Yuan; Ye, Si-Yu; Mensah, Abraham; Li, Jun-Yi; Chen, Li-Zhuang
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 9.2809 ± 0.0009 Å
• b: 25.774 ± 0.003 Å
• c: 17.6172 ± 0.0018 Å
• α: 90°
• β: 92.261 ± 0.001°
• γ: 90°
• Cell volume: 4210.9 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.0576
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No