Information card for entry 4502589

Structure parameters

• Formula: C31 H20 N6 O5 Pb
• Calculated formula: C31 H20 N6 O5 Pb
• SMILES: [Pb]123(OC(=O)c4[n]3cccc4)(OC(=O)c3[n]2cccc3)[n]2cccc3c4nc([nH]c4c4ccc[n]1c4c23)c1ccc(O)cc1
• Title of publication: Coordination Behavior of 5,6-Substituted 1,10-Phenanthroline Derivatives and Structural Diversities by Coligands in the Construction of Lead(II) Complexes
• Authors of publication: Wang, Xiu-Li; Chen, Yong-Qiang; Gao, Qiang; Lin, Hong-Yan; Liu, Guo-Cheng; Zhang, Jin-Xia; Tian, Ai-Xiang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 2174
• a: 15.7551 ± 0.0013 Å
• b: 17.4602 ± 0.0015 Å
• c: 20.7841 ± 0.0013 Å
• α: 90°
• β: 115.01 ± 0.005°
• γ: 90°
• Cell volume: 5181.3 ± 0.7 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: 0.0603
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No