Information card for entry 7101103

Structure parameters

• Common name: tris(3,6-bis(2-pyridinyl-N3,N6)(1,2,4,5-tetrazine- N1,N2))disilver(i) bis(hexafluoroarsenate) acetonitrile solvate
• Chemical name: tris(3,6-bis(2-pyridinyl-N3,N6)(1,2,4,5-tetrazine-N1,N2))disilver(I) bis(hexafluoroarsenate) acetonitrile solvate
• Formula: C40 H30 Ag2 As2 F12 N20
• Calculated formula: C40 H30 Ag2 As2 F12 N20
• SMILES: [Ag]12345[n]6ccccc6c6[n]1[n]1[Ag]78([n]9c(c1nn6)cccc9)([n]1[n]3c(nnc1c1[n]7cccc1)c1[n]2cccc1)[n]1[n]5c(nnc1c1[n]8cccc1)c1[n]4cccc1.[As](F)(F)(F)(F)(F)[F-].[As](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• Title of publication: Anion Dependence of Ag(I) reactions with 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine (bptz): Isolation of the molecular propeller compound [Ag2(bptz)3][AsF6]2.
• Authors of publication: Kim Dunbar; John Bacsa; Brandi L. Schottel
• Journal of publication: Chemical Communications
• Year of publication: 2005
• Journal issue: 1
• a: 22.879 ± 0.007 Å
• b: 25.283 ± 0.007 Å
• c: 8.125 ± 0.002 Å
• α: 90°
• β: 90.353 ± 0.006°
• γ: 90°
• Cell volume: 4700 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No