Information card for entry 2234333

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[aqua(nitrato-κ<i>O</i>)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II)]
• Formula: C38 H30 N6 O12 Pb2
• Calculated formula: C38 H30 N6 O12 Pb2
• SMILES: c1ccc2c3[n]1[Pb]1([n]4cccc(cc2)c34)[O]=C(O1)c1ccccc1.N(=O)(=O)[O-].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[aqua(nitrato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II)]
• Authors of publication: Cheng, Yuanzheng; Yan, Fang; Shi, Weiwei; Zhang, Liping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m528 - m529
• a: 11.7112 ± 0.0013 Å
• b: 13.5403 ± 0.0015 Å
• c: 14.1328 ± 0.0011 Å
• α: 90°
• β: 124.483 ± 0.006°
• γ: 90°
• Cell volume: 1847.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0277
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes