Information card for entry 7027861

Structure parameters

• Formula: C19 H18 N8 O6 Pb
• Calculated formula: C19 H18 N8 O6 Pb
• SMILES: [Pb]12345([n]6c(cccc6)c6[n]1n(cc6)CCCn1[n]2c(cc1)c1[n]3cccc1)(ON(=[O]4)=O)ON(=O)=[O]5
• Title of publication: Synthesis and co-ordination chemistry of the tetradentate chelating ligand 1,3-bis[3-(2-pyridyl)pyrazol-1-yl]propane: crystal structures of complexes with FeII, CuII, ZnII, AgI and PbII
• Authors of publication: Mann, Karen L. V.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 18
• Pages of publication: 3029
• a: 12.2539 ± 0.0008 Å
• b: 10.8331 ± 0.0014 Å
• c: 16.792 ± 0.002 Å
• α: 90°
• β: 98.471 ± 0.008°
• γ: 90°
• Cell volume: 2204.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for all reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0392
• Goodness-of-fit parameter for all reflections: 0.948
• Goodness-of-fit parameter for significantly intense reflections: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No