Information card for entry 2013747

Structure parameters

• Chemical name: Poly[lead(II)-μ~2~-aqua-μ~3~-terephthalato]
• Formula: C8 H6 O5 Pb
• Calculated formula: C8 H6 O5 Pb
• SMILES: [Pb+2].[O-]C(=O)c2ccc(cc2)C(=O)[O-].O
• Title of publication: Poly[lead(II)-μ~2~-aqua-μ~4~-terephthalato]
• Authors of publication: Dale, Sophie H.; Elsegood, Mark R. J.; Kainth, Sarita
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m76 - m78
• a: 10.6661 ± 0.0007 Å
• b: 7.5042 ± 0.0005 Å
• c: 11.126 ± 0.0008 Å
• α: 90°
• β: 109.404 ± 0.002°
• γ: 90°
• Cell volume: 839.95 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes