Information card for entry 7030931

Structure parameters

• Formula: C44 H58 Cl8 N20 O44 Pb4
• Calculated formula: C44 H58 Cl8 N20 O44 Pb4
• SMILES: C1c2cccc3C=[N]4N(C)c5cc6[n](c(C)[n]5[Pb]4([n]23)([OH]1)(OCl(=O)(=O)=O)OCl(=O)(=O)=O)[Pb]1([N](=Cc2cc3C=[N]4N(C)c5cc7[n](c(C)[n]5[Pb]4([n]3c(c3ccccc3)[n]12)(OCl(=O)(=O)=O)OCl(=O)(=O)=O)[Pb]12([N](=Cc3cccc(C[OH]2)[n]13)N7C)[OH2])N6C)([OH2])OCl(=O)(=O)=O.CN(=O)=O.CN(=O)=O.CN(=O)=O.CN(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Tetratopic pyrimidine-hydrazone ligands modified with terminal hydroxymethyl and acryloyl arms and their Pb(ii), Zn(ii), Cu(ii) and Ag(i) complexes.
• Authors of publication: Hutchinson, Daniel J.; Hanton, Lyall R.; Moratti, Stephen C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 22
• Pages of publication: 8205 - 8218
• a: 9.2296 ± 0.001 Å
• b: 17.3147 ± 0.0018 Å
• c: 25.755 ± 0.003 Å
• α: 102.491 ± 0.004°
• β: 93.675 ± 0.004°
• γ: 104.479 ± 0.004°
• Cell volume: 3860.3 ± 0.7 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: 0.071
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No