Information card for entry 1571506

Structure parameters

• Formula: C10 H13 F13 N4 Sb4
• Calculated formula: C10 H13 F13 N4 Sb4
• Title of publication: [(C₅H₆N₂)₂H](Sb₄F₁₃): a polyfluoroantimonite with a strong second harmonic generation effect.
• Authors of publication: Wu, Jia-Hang; Hu, Chun-Li; Li, Ya-Feng; Mao, Jiang-Gao; Kong, Fang
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 21
• Pages of publication: 8071 - 8079
• a: 7.2222 ± 0.0003 Å
• b: 8.1293 ± 0.0004 Å
• c: 10.3779 ± 0.0004 Å
• α: 101.002 ± 0.004°
• β: 105.247 ± 0.004°
• γ: 106.829 ± 0.004°
• Cell volume: 538.65 ± 0.05 ų
• Cell temperature: 250 ± 0.1 K
• Ambient diffraction temperature: 250 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No