Information card for entry 2228240

Structure parameters

• Chemical name: Bis(benzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')lead(II) benzoic acid monosolvate
• Formula: C33 H24 N2 O6 Pb
• Calculated formula: C33 H24 N2 O6 Pb
• SMILES: [Pb]123(OC(=[O]1)c1ccccc1)(OC(=[O]2)c1ccccc1)[n]1cccc2ccc4ccc[n]3c4c12.OC(=O)c1ccccc1
• Title of publication: Bis(benzoato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II) benzoic acid monosolvate
• Authors of publication: Dai, Jun; Yang, Juan; Li, Jiantong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1661 - m1662
• a: 10.0725 ± 0.0008 Å
• b: 10.5697 ± 0.0008 Å
• c: 15.5477 ± 0.0017 Å
• α: 93.414 ± 0.002°
• β: 102.836 ± 0.002°
• γ: 117.972 ± 0.001°
• Cell volume: 1399.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes