Information card for entry 4348542

Structure parameters

• Formula: C51 H40 Ag B Cl2 F4 N6 O4
• Calculated formula: C51 H40 Ag B Cl2 F4 N6 O4
• SMILES: c12ccccc1C[C@@H]1[C@H]2[N]2=C(c3cccc(C4=N[C@@H]5[C@@H](Cc6ccccc56)O4)[n]3[Ag]342[N]2[C@H]5c6ccccc6C[C@H]5OC=2c2cccc(C5=[N]4[C@@H]4[C@@H](Cc6ccccc46)O5)[n]32)O1.C(Cl)Cl.[B](F)(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: 12.818 ± 0.005 Å
• b: 11.676 ± 0.005 Å
• c: 14.992 ± 0.005 Å
• α: 90 ± 0.005°
• β: 95.998 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2231.5 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No