Information card for entry 4340494

Structure parameters

• Formula: C54 H50 Cl4 N6 O4 Pb2
• Calculated formula: C54 H50 Cl4 N6 O4 Pb2
• SMILES: [Pb]1234[N]5=Cc6c(c(CN(Cc7c(c(cc(c7)Cl)C=[N]1CCC5)[O]2[Pb]125[N]7=Cc8c(c(CN(Cc9c(c(cc(c9)Cl)C=[N]1CCC7)[O]42)[C@H](C)c1ccccc1)cc(c8)Cl)O5)[C@H](C)c1ccccc1)cc(c6)Cl)O3
• Title of publication: Base-Induced Self-Assembly for One-Dimensional Coordination Polymers via Chiral Pendant-Armed Schiff Base Mononuclear Pb(II) Macrocycles.
• Authors of publication: Zhang, Kun; Jin, Chao; Sun, Yuchen; Chang, Feifan; Huang, Wei
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 7803
• a: 26.095 ± 0.003 Å
• b: 7.4603 ± 0.0007 Å
• c: 28.384 ± 0.003 Å
• α: 90°
• β: 111.599 ± 0.002°
• γ: 90°
• Cell volume: 5137.7 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No