Information card for entry 7244277

Structure parameters

• Formula: C30 H45 Cl12 N3 Sb2
• Calculated formula: C30 H45 Cl12 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: 9.1074 ± 0.001 Å
• b: 14.2404 ± 0.0016 Å
• c: 18.54 ± 0.002 Å
• α: 84.512 ± 0.009°
• β: 89.419 ± 0.009°
• γ: 77.186 ± 0.008°
• Cell volume: 2333.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1601
• Residual factor for significantly intense reflections: 0.0995
• Weighted residual factors for significantly intense reflections: 0.2704
• Weighted residual factors for all reflections included in the refinement: 0.3082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No