Information card for entry 4511043

Structure parameters

• Formula: C66 H40 N8 O8 Pb2
• Calculated formula: C66 H40 N8 O8 Pb2
• SMILES: C1(=O)c2ccccc2c2c(cccc2)C(=O)O[Pb]2([n]3cccc4c3c3[n]2cccc3c2nc([nH]c42)c2ccccc2)OC(=O)c2ccccc2c2c(cccc2)C(=O)O[Pb]2([n]3cccc4c3c3[n]2cccc3c2nc([nH]c42)c2ccccc2)O1
• Title of publication: A Series of Lead(II) Complexes with π−π Stackings: Structural Diversities by Varying the Ligands
• Authors of publication: Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Ma, Ji-Cheng; Batten, Stuart R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 1894
• a: 10.06 ± 0.002 Å
• b: 11.932 ± 0.002 Å
• c: 12.059 ± 0.002 Å
• α: 93.42 ± 0.03°
• β: 91.98 ± 0.03°
• γ: 112.88 ± 0.03°
• Cell volume: 1328.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0285
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No