Information card for entry 4334069

Structure parameters

• Formula: C31 H28 F12 N8 O16 Pb2 S4
• Calculated formula: C31 H28 F12 N8 O16 Pb2 S4
• SMILES: C=CC1=[O][Pb]23([n]4c(CO1)cccc4C=[N]2N(C)c1cc2[n](c(C)[n]31)[Pb]1([N](=Cc3cccc(COC(=O)C=C)[n]13)N2C)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)(OS(=O)(C(F)(F)F)=O)OS(=O)(=O)C(F)(F)F
• 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: 10.9614 ± 0.0005 Å
• b: 14.1662 ± 0.0006 Å
• c: 16.4345 ± 0.0007 Å
• α: 102.64 ± 0.003°
• β: 104.898 ± 0.003°
• γ: 100.224 ± 0.003°
• Cell volume: 2331.31 ± 0.19 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No