Information card for entry 2240239

Structure parameters

• Chemical name: Poly[acetato-κ^2^<i>O</i>,<i>O</i>')(μ~3~-acetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>:<i>O</i>')(4-chlorobenzene-1,2-diamine-κ<i>N</i>)lead(II)]
• Formula: C10 H13 Cl N2 O4 Pb
• Calculated formula: C10 H13 Cl N2 O4 Pb
• SMILES: Clc1cc(N)c(cc1)[NH2][Pb]12([O]=C(O1)C)[O]=C(O2)C
• Title of publication: Crystal structures of three lead(II) acetate-bridged diaminobenzene coordination polymers
• Authors of publication: Geiger, David K.; Parsons, Dylan E.; Zick, Patricia L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: 566 - 572
• a: 7.3623 ± 0.001 Å
• b: 7.6177 ± 0.001 Å
• c: 13.1413 ± 0.0017 Å
• α: 89.762 ± 0.004°
• β: 76.405 ± 0.004°
• γ: 66.691 ± 0.004°
• Cell volume: 654.63 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes