Information card for entry 7109284

Structure parameters

• Formula: C36 H42 Ag2 N12 O6 S2
• Calculated formula: C36 H42 Ag2 N12 O6 S2
• SMILES: c1[n]2[Ag](OS(=O)(=O)c3ccc(cc3)C)[n]3c(NCCCNc4[n](cccn4)[Ag](OS(=O)(c4ccc(cc4)C)=O)[n]4c(NCCCNc2ncc1)nccc4)nccc3
• Title of publication: Metallomacrocycles as anion receptors: combining hydrogen bonding and ion pair based hosts formed from Ag(I) salts and flexible bis- and tris-pyrimidine ligands
• Authors of publication: Andres Tasada; Francisca M. Alberti; Antonio Bauza; Miquel Barcelo-Oliver; Angel Garcia-Raso; Juan J. Fiol; Elies Molins; Amparo Caubet; Antonio Frontera
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4944
• a: 12.611 ± 0.002 Å
• b: 11.643 ± 0.002 Å
• c: 14.3923 ± 0.0019 Å
• α: 90°
• β: 112.081 ± 0.013°
• γ: 90°
• Cell volume: 1958.2 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0352
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No