Information card for entry 2236798

Structure parameters

• Chemical name: Bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-κ^2^<i>N</i>^4^,<i>N</i>^5^] (trifluoroacetato-κ<i>O</i>)silver(I)
• Formula: C22 H12 Ag F3 N8 O2
• Calculated formula: C22 H12 Ag F3 N8 O2
• SMILES: [Ag]12([n]3cc(ncc3c3[n]1cccc3)C#N)([n]1c(c3[n]2cc(nc3)C#N)cccc1)OC(=O)C(F)(F)F
• Title of publication: Bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-κ^2^<i>N</i>^4^,<i>N</i>^5^](trifluoroacetato-κ<i>O</i>)silver(I)
• Authors of publication: Li, Jing; Jia, Xiao Cuan; Qi, Jun; Liu, Yuan Yuan; Ding, Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1329
• a: 12.5237 ± 0.0016 Å
• b: 14.9638 ± 0.0018 Å
• c: 23.845 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4468.6 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0634
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes