Information card for entry 2228395

Structure parameters

• Chemical name: Bis(μ-5-carboxybenzene-1,3-dicarboxylato)-κ^3^<i>O</i>^1^,<i>O</i>^1'^: <i>O</i>^3^;κ^3^<i>O</i>^3^:<i>O</i>^1^,<i>O</i>^1'^-bis[(2-phenyl- 1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene- κ^2^<i>N</i>^7^,<i>N</i>^8^)lead(II)]
• Formula: C56 H32 N8 O12 Pb2
• Calculated formula: C56 H32 N8 O12 Pb2
• SMILES: c1[n]2[Pb]3([n]4c5c2c(cc1)c1c(c5ccc4)nc([nH]1)c1ccccc1)OC(=O)c1cc(cc(C(=O)O[Pb]2([n]4cccc5c6c(c7ccc[n]2c7c45)nc([nH]6)c2ccccc2)OC(=O)c2cc(cc(C(=O)O3)c2)C(=O)O)c1)C(=O)O
• Title of publication: Bis(μ-5-carboxybenzene-1,3-dicarboxylato)-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^;κ^3^<i>O</i>^3^:<i>O</i>^1^,<i>O</i>^1'^-bis[(2-phenyl-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene-κ^2^<i>N</i>^7^,<i>N</i>^8^)lead(II)]
• Authors of publication: Chen, Jing; Wang, Xiang-Cheng; Li, Chun-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1651 - m1652
• a: 9.2776 ± 0.0003 Å
• b: 11.4409 ± 0.0005 Å
• c: 12.2764 ± 0.0006 Å
• α: 73.82 ± 0.004°
• β: 72.754 ± 0.004°
• γ: 68.68 ± 0.004°
• Cell volume: 1137.73 ± 0.09 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0282
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes