Information card for entry 7710248

Structure parameters

• Formula: C54 H84 Cl9 In N6
• Calculated formula: C54 H84 Cl9 In N6
• Title of publication: 0D Chiral Hybrid Indium(III) Halides for Second Harmonic Generation
• Authors of publication: Qi, Siming; Ge, Fei; Han, Xiao; Cheng, Puxin; Shi, Rongchao; Liu, Chao; Zheng, Yongshen; Xin, Mingyang; Xu, Jialiang
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 17.0509 ± 0.0001 Å
• b: 17.0509 ± 0.0001 Å
• c: 39.5214 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9950.79 ± 0.13 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No