Information card for entry 7000957

Structure parameters

• Common name: Silver(i) Triflate 3:1 complex with 2,6-dimethyl-1,2,4,5- tetrazine, dihydrate
• Chemical name: Silver(I) Triflate 3:1 complex with 2,6-dimethyl-1,2,4,5-tetrazine, dihydrate
• Formula: C14 H20 Ag6 F18 N8 O22 S6
• Calculated formula: C14 H20 Ag6 F18 N8 O22 S6
• Title of publication: 1,2,4,5-Tetrazine: an unprecedented μ4-coordination that enhances ability for anion⋯π interactions
• Authors of publication: Gural'skiy, Il'ya A.; Escudero, Daniel; Frontera, Antonio; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 15
• Pages of publication: 2856 - 2864
• a: 10.5847 ± 0.0009 Å
• b: 19.0579 ± 0.0013 Å
• c: 23.1327 ± 0.0014 Å
• α: 90°
• β: 102.038 ± 0.01°
• γ: 90°
• Cell volume: 4563.8 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• 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: 0.1213
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.2061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No