Information card for entry 4348539

Structure parameters

• Formula: C52 H38 Ag2 F6 N6 O10 S2
• Calculated formula: C52 H38 Ag2 F6 N6 O10 S2
• SMILES: c12ccccc1C[C@@H]1[C@H]2[N]2=C(c3cccc(C4=[N]([C@@H]5[C@@H](Cc6ccccc56)O4)[Ag][N]4=C(c5cccc(C6=[N]([C@H]7c8ccccc8C[C@H]7O6)[Ag]2)n5)O[C@H]2[C@@H]4c4c(C2)cccc4)n3)O1.C(S(=O)(=O)[O-])(F)(F)F.C(S(=O)(=O)[O-])(F)(F)F
• Title of publication: Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.
• Authors of publication: Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8794 - 8807
• a: 12.8183 ± 0.0002 Å
• b: 16.1215 ± 0.0002 Å
• c: 23.4147 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4838.65 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0404
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No