Information card for entry 4325881

Structure parameters

• Formula: C21 H24 Cl4 N8 O18 Pb2
• Calculated formula: C21 H24 Cl4 N8 O18 Pb2
• SMILES: C1c2cccc3C=[N]4N(C)c5cc6[n](c(C)[n]5[Pb]4([n]23)([OH]1)OCl(=O)(=O)=O)[Pb]12([N](=Cc3cccc(C[OH]2)[n]13)N6C)(OCl(=O)(=O)=O)OCl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Metal Ion-Controlled Self-Assembly Using Pyrimidine Hydrazone Molecular Strands with Terminal Hydroxymethyl Groups: A Comparison of Pb(II) and Zn(II) Complexes
• Authors of publication: Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7637 - 7649
• a: 9.8273 ± 0.0017 Å
• b: 12.01 ± 0.002 Å
• c: 15.111 ± 0.003 Å
• α: 75.586 ± 0.008°
• β: 73.672 ± 0.009°
• γ: 76.293 ± 0.008°
• Cell volume: 1630.7 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No