Information card for entry 4325882

Structure parameters

• Formula: C21 H26 Cl4 N8 O19 Pb2
• Calculated formula: C21 H26 Cl4 N8 O19 Pb2
• SMILES: C1c2cccc3C=[N](N(C)c4cc5[n](c(C)n4)[Pb]46([N](=Cc7cccc(C[OH]6)[n]47)N5C)(OCl(=O)(=O)=O)OCl(=O)(=O)=O)[Pb]([n]23)([OH]1)([OH2])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: 9.1759 ± 0.0018 Å
• b: 11.974 ± 0.002 Å
• c: 16.043 ± 0.003 Å
• α: 84.705 ± 0.009°
• β: 80.236 ± 0.011°
• γ: 78.353 ± 0.009°
• Cell volume: 1698.3 ± 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: 0.0177
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No