Information card for entry 1576307

Structure parameters

• Formula: C6 H14 I3 N O Pb
• Calculated formula: C5.9976 H13.9944 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: 10.281 ± 0.004 Å
• b: 10.281 ± 0.004 Å
• c: 8.133 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 744.5 ± 0.4 ų
• Cell temperature: 440 ± 0.1 K
• Ambient diffraction temperature: 440 ± 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: 0.1499
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.2776
• Weighted residual factors for all reflections included in the refinement: 0.3689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No