Information card for entry 4504190

Structure parameters

• Formula: C7 H7 Cl N2 O4 Pb
• Calculated formula: C7 H7 Cl N2 O4 Pb
• Title of publication: A Novel Chiral Doubly Folded Interpenetrating 3D Metal-Organic Framework Based on the Flexible Zwitterionic Ligand
• Authors of publication: Wang, Xian-Wen; Han, Lei; Cai, Tie-Jun; Zheng, Yue-Qing; Chen, Jing-Zhong; Deng, Qian
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 1027
• a: 11.9666 ± 0.0017 Å
• b: 11.9666 ± 0.0017 Å
• c: 15.485 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2217.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 98
• Hermann-Mauguin space group symbol: I 41 2 2
• Hall space group symbol: I 4bw 2bw
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No