Information card for entry 4501147

Structure parameters

• Formula: C8 H2 Cl4 Na2 O6 Pb
• Calculated formula: C8 H2 Cl4 Na2 O6 Pb
• SMILES: c1(c(c(Cl)c(c(c1Cl)C(=O)[O-])Cl)C(=O)[O-])Cl.[Na+].[Na+].[OH-].[Pb+2].[OH-]
• Title of publication: Alkali-Metal-Templated Assemblies of New 3D Lead(II) Tetrachloroterephthalate Coordination Frameworks
• Authors of publication: Chen, Sheng-Chun; Zhang, Zhi-Hui; Zhou, Yong-Sheng; Zhou, Wei-You; Li, Yi-Zhi; He, Ming-Yang; Chen, Qun; Du, Miao
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 4190
• a: 15.898 ± 0.002 Å
• b: 12.678 ± 0.003 Å
• c: 8.264 ± 0.003 Å
• α: 90°
• β: 90.136 ± 0.003°
• γ: 90°
• Cell volume: 1665.6 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No