Information card for entry 4308542

Structure parameters

• Formula: C44 H40 Ag2 Cl4 F6 N8 O10 S2
• Calculated formula: C44 H40 Ag2 Cl4 F6 N8 O10 S2
• SMILES: [Ag]1[n]2ccc(cc2)N(C)C(=O)c2cccc(c2)C(=O)N(c2cc[n]([Ag][n]3ccc(cc3)N(C)C(=O)c3cccc(c3)C(=O)N(c3cc[n]1cc3)C)cc2)C.C(F)(F)(F)S(=O)(=O)[O-].C(Cl)Cl.C(F)(F)(F)S(=O)(=O)[O-].C(Cl)Cl
• Title of publication: Disilver(I) Macrocycles: Variation of Cavity Size with Anion Binding
• Authors of publication: Nancy L. S. Yue; Michael C. Jennings; Richard J. Puddephatt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1125 - 1131
• a: 9.1836 ± 0.0004 Å
• b: 9.7625 ± 0.0005 Å
• c: 14.9279 ± 0.0009 Å
• α: 92.418 ± 0.001°
• β: 105.768 ± 0.002°
• γ: 90.421 ± 0.002°
• Cell volume: 1286.6 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No