Information card for entry 7027860

Structure parameters

• Formula: C19 H18 Ag Cl N6 O4
• Calculated formula: C19 H11.5 Ag Cl N6 O4
• SMILES: [O-]Cl(=O)(=O)=O.[Ag]123[n]4c(cccc4)c4ccn([n]14)CCCn1[n]2c(cc1)c1cccc[n]31
• 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: 7.0405 ± 0.001 Å
• b: 21.604 ± 0.006 Å
• c: 26.427 ± 0.005 Å
• α: 90°
• β: 93.57 ± 0.011°
• γ: 90°
• Cell volume: 4011.8 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.171
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.1585
• Weighted residual factors for significantly intense reflections: 0.1178
• Goodness-of-fit parameter for all reflections: 0.985
• Goodness-of-fit parameter for significantly intense reflections: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No