Information card for entry 2205250

Structure parameters

• Chemical name: Poly[[(1,10-phenanthroline)lead(II)]-μ~5~-1,3-benzenedicarboxylato]
• Formula: C20 H12 N2 O4 Pb
• Calculated formula: C20 H12 N2 O4 Pb
• SMILES: [Pb]123([O]=C(O1)c1cccc(c1)C(=O)[O-])([n]1cccc4ccc5ccc[n]2c5c14)OC(=[O]3)c1cccc(C2=[O][Pb]3(O2)[n]2cccc4ccc5ccc[n]3c5c24)c1
• Title of publication: Poly[[(1,10-phenanthroline)lead(II)]-μ~5~-1,3-benzenedicarboxylato]
• Authors of publication: Wang, Hai-Dong; He, Hong-Yin; Wang, Yue-Jian; Zhu, Long-Guan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m531 - m532
• a: 7.5493 ± 0.0008 Å
• b: 9.786 ± 0.001 Å
• c: 13.148 ± 0.001 Å
• α: 69.753 ± 0.001°
• β: 80.542 ± 0.001°
• γ: 71.34 ± 0.001°
• Cell volume: 861.85 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes