Information card for entry 4340493

Structure parameters

• Formula: C27 H27 Cl2 N5 O8 Pb
• Calculated formula: C27 H27 Cl2 N5 O8 Pb
• SMILES: [Pb]123([N]4(Cc5c(c(cc(c5)Cl)C=NCCCN=Cc5c(c(C4)cc(c5)Cl)[OH]2)[OH]1)[C@H](C)c1ccccc1)([O]=N(=O)[O]3)ON(=O)=O
• 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: 10.5675 ± 0.0008 Å
• b: 12.4531 ± 0.0009 Å
• c: 10.6929 ± 0.0008 Å
• α: 90°
• β: 92.773 ± 0.001°
• γ: 90°
• Cell volume: 1405.52 ± 0.18 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No