Information card for entry 7200252

Structure parameters

• Formula: C28 H22 Ag B F4 N6
• Calculated formula: C28 H22 Ag B F4 N6
• SMILES: [Ag]([n]1c(N)ncc(c1)c1c2ccccc2ccc1)[n]1c(N)ncc(c1)c1cccc2ccccc12.[B](F)(F)(F)[F-]
• Title of publication: Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation
• Authors of publication: Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 306
• a: 18.854 ± 0.0005 Å
• b: 13.3354 ± 0.0003 Å
• c: 10.1094 ± 0.0003 Å
• α: 90°
• β: 97.6513 ± 0.0015°
• γ: 90°
• Cell volume: 2519.13 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0629
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No