Information card for entry 1568249

Structure parameters

• Chemical name: rac-ClMBA-SnCl
• Formula: C16 H22 Cl8 N2 Sn
• Calculated formula: C16 H22 Cl8 N2 Sn
• Title of publication: Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.
• Authors of publication: Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He
• Journal of publication: Materials horizons
• Year of publication: 2023
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 1005 - 1011
• a: 14.1247 ± 0.0002 Å
• b: 7.1094 ± 0.0001 Å
• c: 12.3083 ± 0.0002 Å
• α: 90°
• β: 97.523 ± 0.001°
• γ: 90°
• Cell volume: 1225.34 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0736
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1945
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No