Information card for entry 2227522

Structure parameters

• Chemical name: Aqua(trifluoromethanesulfonato)bis(1,3,7-trimethylpurine-2,6-dione)silver(I)
• Formula: C17 H22 Ag F3 N8 O8 S
• Calculated formula: C17 H22 Ag F3 N8 O8 S
• SMILES: [Ag]([OH2])(OS(=O)(=O)C(F)(F)F)([n]1c2N(C(=O)N(C(=O)c2n(c1)C)C)C)[n]1c2N(C(=O)N(C(=O)c2n(c1)C)C)C
• Title of publication: Aqua(trifluoromethanesulfonato)bis(1,3,7-trimethylpurine-2,6-dione)silver(I)
• Authors of publication: Arman, Hadi D.; Miller, Tyler; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1211
• a: 8.9012 ± 0.001 Å
• b: 10.0408 ± 0.0008 Å
• c: 15.457 ± 0.002 Å
• α: 72.091 ± 0.007°
• β: 85.444 ± 0.009°
• γ: 63.672 ± 0.006°
• Cell volume: 1175.5 ± 0.2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes