Information card for entry 2202999

Structure parameters

• Chemical name: Bis(2-aminopyrimidine)silver(I) trifluoromethylsulfonate hemihydrate
• Formula: C9 H11 Ag F3 N6 O3.5 S
• Calculated formula: C9 H11 Ag F3 N6 O3.5 S
• SMILES: [Ag]([n]1c(N)nccc1)[n]1c(N)nccc1.S(=O)(=O)([O-])C(F)(F)F.O
• Title of publication: Bis(2-aminopyrimidine)silver(I) trifluoromethanesulfonate hemihydrate
• Authors of publication: Zhu, Hai-Liang; Yang, Song; Ma, Ji-Long; Qiu, Xiao-Yang; Sun, Lin; Shao, Si-Chang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m1046 - m1047
• a: 10.194 ± 0.002 Å
• b: 13.112 ± 0.003 Å
• c: 13.173 ± 0.003 Å
• α: 113.67 ± 0.03°
• β: 105.12 ± 0.03°
• γ: 96.2 ± 0.03°
• Cell volume: 1511.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0768
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes