Information card for entry 7244278

Structure parameters

• Formula: C30 H45 Br3 Cl9 N3 Sb2
• Calculated formula: C30 H45 Br3 Cl9 N3 Sb2
• SMILES: [Sb]([Cl-])(Cl)(Cl)Cl.[Sb]([Cl-])(Cl)(Cl)Cl.Brc1ccc(cc1)C[N+](C)(C)C.Brc1ccc(C[N+](C)(C)C)cc1.[N+](Cc1ccc(cc1)Br)(C)(C)C.[Cl-]
• 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: 9.3055 ± 0.0003 Å
• b: 14.9937 ± 0.0006 Å
• c: 18.0441 ± 0.0007 Å
• α: 84.989 ± 0.003°
• β: 86.538 ± 0.003°
• γ: 74.258 ± 0.002°
• Cell volume: 2412.13 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1368
• Residual factor for significantly intense reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.3214
• Weighted residual factors for all reflections included in the refinement: 0.3504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.334
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No