Information card for entry 4334071

Structure parameters

• Formula: C29 H31 Cl4 N9 O20 Pb2
• Calculated formula: C29 H31 Cl4 N9 O20 Pb2
• SMILES: C=CC(=O)OCc1cccc2C=[N]3N(C)c4cc5[n](c(C)[n]4[Pb]3([n]12)(OCl(=O)(=O)=O)OCl(=O)(=O)=O)[Pb]1([N](=Cc2cccc(COC(=O)C=C)[n]12)N5C)(OCl(=O)(=O)=O)OCl(=O)(=O)=O.C(#N)C
• Title of publication: Influence of Terminal Acryloyl Arms on the Coordination Chemistry of a Ditopic Pyrimidine-Hydrazone Ligand: Comparison of Pb(II), Zn(II), Cu(II), and Ag(I) Complexes
• Authors of publication: Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2716 - 2728
• a: 13.3813 ± 0.0005 Å
• b: 13.6338 ± 0.0005 Å
• c: 14.6157 ± 0.0006 Å
• α: 117.66 ± 0.001°
• β: 92.171 ± 0.001°
• γ: 115.245 ± 0.001°
• Cell volume: 2041.48 ± 0.14 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 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: 0.0242
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No