Information card for entry 7133475

Structure parameters

• Formula: C8 H24 Cl6 N2 O2 Sn
• Calculated formula: C8.0016 H24.0048 Cl6 N1.5003 O2.0004 Sn
• Title of publication: Symmetry breaking through molecular engineering to achieve "on-off-on" nonlinear optical switch in a [SnCl₆]^2- framework.
• Authors of publication: Cai, Zhuoer; Yinan, Zhang; Chen, Jian; He, Xiaofan; Zhang, Ziyue; Hua, Xiu-Ni; Sun, Baiwang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 70
• Pages of publication: 9412 - 9415
• a: 9.6998 ± 0.0009 Å
• b: 9.6998 ± 0.0009 Å
• c: 12.6019 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1026.8 ± 0.2 ų
• Cell temperature: 400 K
• Ambient diffraction temperature: 400 K
• Number of distinct elements: 6
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No