Information card for entry 2216782

Structure parameters

• Chemical name: Bis(μ-4-hydroxybenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(2,9-dimethyl-1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')(4-hydroxybenzoato- κ^2^<i>O</i>,<i>O</i>')lead(II)]
• Formula: C56 H44 N4 O12 Pb2
• Calculated formula: C56 H44 N4 O12 Pb2
• SMILES: [Pb]12([n]3c(ccc4ccc5ccc([n]1c5c34)C)C)(OC(=O)c1ccc(O)cc1)OC(c1ccc(O)cc1)=[O][Pb]1([n]3c(ccc4ccc5ccc([n]1c5c34)C)C)(OC(=O)c1ccc(O)cc1)OC(c1ccc(O)cc1)=[O]2
• Title of publication: Bis(μ-4-hydroxybenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(4-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')lead(II)]
• Authors of publication: Zhao, Pei-Zheng; Xuan, Xiao-Peng; Tang, Qing-Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3042 - m3043
• a: 11.0539 ± 0.0009 Å
• b: 20.906 ± 0.0016 Å
• c: 11.2905 ± 0.0009 Å
• α: 90°
• β: 101.667 ± 0.001°
• γ: 90°
• Cell volume: 2555.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0238
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.0423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes