Information card for entry 7027859

Structure parameters

• Formula: C21 H21 Ag N8 O3
• Calculated formula: C21 H21 Ag N8 O3
• SMILES: [Ag]123[n]4c(cccc4)c4[n]1n(cc4)CCCn1[n]2c(cc1)c1[n]3cccc1.N(=O)(=O)[O-].N#CC
• 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: 6.9549 ± 0.0012 Å
• b: 15.977 ± 0.003 Å
• c: 19.698 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2188.8 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.0552
• Goodness-of-fit parameter for all reflections: 0.949
• Goodness-of-fit parameter for significantly intense reflections: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No