Information card for entry 2230519

Structure parameters

• Chemical name: Di-μ-benzoato- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis[(benzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')lead(II)]
• Formula: C52 H36 N4 O8 Pb2
• Calculated formula: C52 H36 N4 O8 Pb2
• SMILES: c1ccc2c(c3c(cc2)ccc[n]23)[n]1[Pb]213(OC(=[O]1)c1ccccc1)OC(=[O]3)c1ccccc1
• Title of publication: Di-μ-benzoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(benzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II)]
• Authors of publication: Li, Hong-Jin; Gao, Zhu-Qing; Gu, Jin-Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m778
• a: 9.011 ± 0.003 Å
• b: 10.923 ± 0.003 Å
• c: 11.92 ± 0.004 Å
• α: 83.76 ± 0.003°
• β: 87.626 ± 0.003°
• γ: 71.601 ± 0.003°
• Cell volume: 1106.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes