Information card for entry 2240238

Structure parameters

• Chemical name: Poly[tris(acetato-κ^2^<i>O</i>,<i>O</i>')(μ~3~-acetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)tetrakis(μ~2~-acetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>:<i>O</i>')bis(benzene-1,2-diamine-κ<i>N</i>)tetralead(II)]
• Formula: C14 H20 N2 O8 Pb2
• Calculated formula: C14 H20 N2 O8 Pb2
• SMILES: c1(ccccc1N)N.O=C(C)[O-].[Pb+2].[O-]C(=O)C.O=C(C)[O-].C([O-])(C)=O.[Pb+2]
• 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: 11.1447 ± 0.0014 Å
• b: 29.694 ± 0.004 Å
• c: 11.8597 ± 0.0014 Å
• α: 90°
• β: 103.941 ± 0.004°
• γ: 90°
• Cell volume: 3809.1 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes