Information card for entry 4348543

Structure parameters

• Formula: C78 H59 Ag2 Cl2 F6 N9 O12 S2
• Calculated formula: C78 H59 Ag2 Cl2 F6 N9 O12 S2
• SMILES: c12ccccc1C[C@@H]1[C@H]2[N]2=C(c3cccc(C4=[N]([C@@H]5[C@@H](Cc6ccccc56)O4)[Ag]4[N]5=C(c6cccc(C7=[N]([C@H]8c9ccccc9C[C@H]8O7)[Ag]2[N]2[C@H]7c8ccccc8C[C@H]7OC=2c2cccc(C7=[N]4[C@@H]4[C@@H](Cc8ccccc48)O7)n2)n6)O[C@H]2[C@@H]5c4c(C2)cccc4)n3)O1.C(S(=O)(=O)[O-])(F)(F)F.C(S(=O)(=O)[O-])(F)(F)F.ClCCl
• 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: 13.6217 ± 0.0005 Å
• b: 21.2392 ± 0.0008 Å
• c: 13.9381 ± 0.0006 Å
• α: 90°
• β: 117.097 ± 0.005°
• γ: 90°
• Cell volume: 3589.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0864
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1857
• Weighted residual factors for all reflections included in the refinement: 0.2076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No