Information card for entry 7120053

Structure parameters

• Formula: C20 H25 Cl N O5 Pb1.5
• Calculated formula: C20 Cl O5 Pb1.5
• Title of publication: A Non-interpenetrating Lead-Organic Framework with Large Channels Based on 1D Tube-Shaped SBUs
• Authors of publication: Dai, Fangna; Fan, Weidong; Yuan, Xue; Huang, Zhaodi; Wang, Yutong; Xin, Xuelian; Lin, Huan; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 33.2401 ± 0.0004 Å
• b: 33.2401 ± 0.0004 Å
• c: 5.8894 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6507.22 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.2504
• Weighted residual factors for all reflections included in the refinement: 0.2537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No