Information card for entry 7709966

Structure parameters

• Chemical name: C5H14N2Pb0.5I3
• Formula: C10 H28 I6 N4 Pb
• Calculated formula: C10 H28 I6 N4 Pb
• Title of publication: Methylpiperazine Based 0D Chiral Hybrid Lead Halides for Second Harmonic Generation
• Authors of publication: Jia, Xiaodi; Zheng, Yongshen; Cheng, Puxin; Han, Xiao; Xu, Liang; Xu, Jialiang
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 14.6421 ± 0.0005 Å
• b: 10.2354 ± 0.0003 Å
• c: 8.7575 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1312.47 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No