Information card for entry 2015536

Structure parameters

• Chemical name: catena-poly[[(1,10-phenanthroline)lead(II)]-μ-nitrato-μ-benzoato- [(1,10-phenanthroline)lead(II)]-di-μ-benzoato]
• Formula: C45 H31 N5 O9 Pb2
• Calculated formula: C45 H31 N5 O9 Pb2
• SMILES: c1ccc2ccc3c(c2[n]12)[n]([Pb]2(OC(=O)c1ccccc1)OC(=O)c1ccccc1)ccc3.[n]12cccc3ccc4ccc[n](c4c13)[Pb]2OC(=O)c1ccccc1.N(=O)(=O)[O-]
• Title of publication: A one-dimensional mixed-anion lead(II) coordination polymer: <i>catena</i>-poly[[(1,10-phenanthroline)lead(II)]-μ-benzoato-μ-nitrato-[(1,10-phenanthroline)lead(II)]-di-μ-benzoato]
• Authors of publication: Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m428 - m430
• a: 17.2481 ± 0.001 Å
• b: 20.6393 ± 0.0012 Å
• c: 11.5549 ± 0.0006 Å
• α: 90°
• β: 101.167 ± 0.001°
• γ: 90°
• Cell volume: 4035.5 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0607
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes