Information card for entry 1576306

Structure parameters

• Formula: C5 H12 I3 N O Pb
• Calculated formula: C4.998 H11.9952 I3 N0.9996 O0.9996 Pb
• Title of publication: Organic cation conformational flexibility governs mechanical response in organic-inorganic hybrid materials.
• Authors of publication: Yang, Ya-Wen; Xu, Ke; Zhou, Zi-Ning; Jin, Ming-Liang; Tsunashima, Ryo; Nakamura, Takayoshi; Chai, Chao-Yang; Ye, Qiong
• Journal of publication: Chemical science
• Year of publication: 2025
• a: 9.904 ± 0.003 Å
• b: 9.904 ± 0.003 Å
• c: 8.06 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 684.7 ± 0.4 ų
• Cell temperature: 393 ± 0.1 K
• Ambient diffraction temperature: 393 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.1575
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.1988
• Weighted residual factors for all reflections included in the refinement: 0.2551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No