Information card for entry 2222880

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[(acetato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II)] dihydrate
• Formula: C42 H36 N4 O10 Pb2
• Calculated formula: C42 H36 N4 O10 Pb2
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Pb]41(OC(=O)C)[O]=C(O1)c1ccccc1.O
• 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[(acetato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II)] dihydrate
• Authors of publication: Gao, Junli; Xuan, Xiaopeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m900
• a: 11.809 ± 0.004 Å
• b: 13.91 ± 0.005 Å
• c: 12.29 ± 0.004 Å
• α: 90°
• β: 107.392 ± 0.004°
• γ: 90°
• Cell volume: 1926.5 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0571
• 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