Information card for entry 7131212

Structure parameters

• Formula: C10 H24 Cl5 N2 O2 Sb
• Calculated formula: C10 H24 Cl5 N2 O2 Sb
• SMILES: [Sb]([Cl-])([Cl-])(Cl)(Cl)Cl.O[C@H]1C[NH2+]CCC1.O[C@@H]1CCC[NH2+]C1
• Title of publication: A photoluminescent chiral lead-free hybrid ferroelastic semiconductor with switchable second-harmonic generation.
• Authors of publication: Liu, Qin; Peng, Hang; Qi, Jun-Chao; Lu, Yan-Zi; Yang, Shu-Jing; Liao, Wei-Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 13
• Pages of publication: 1793 - 1796
• a: 10.1868 ± 0.0005 Å
• b: 10.3053 ± 0.0004 Å
• c: 18.3253 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1923.75 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No