Information card for entry 4502588

Structure parameters

• Formula: C52 H32 N10 O4 Pb
• Calculated formula: C52 H32 N10 O4 Pb
• SMILES: [Pb]12([n]3cccc4c5[nH]c(nc5c5ccc[n]1c5c34)c1cnccc1)([n]1cccc3c4[nH]c(nc4c4ccc[n]2c4c13)c1cnccc1)OC(=O)c1ccc(cc1)/C=C/c1ccc(cc1)C(=O)O[Pb]12([n]3cccc4c5[nH]c(nc5c5ccc[n]1c5c34)c1cnccc1)([n]1cccc3c4[nH]c(nc4c4ccc[n]2c4c13)c1cnccc1)OC(=O)c1ccc(cc1)/C=C/c1ccc(cc1)C(=O)[O-]
• 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: 8.598 ± 0.0007 Å
• b: 31.731 ± 0.003 Å
• c: 15.4683 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4220.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No