Information card for entry 4348540

Structure parameters

• Formula: C44 H42 Ag2 F6 N6 O10 S2
• Calculated formula: C44 H42 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@@H](C(C)C)COC=4c4cccc(C5=[N]([C@H](CO5)C(C)C)[Ag]2)n4)n3)O1.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
• 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: 18.8039 ± 0.0003 Å
• b: 12.5654 ± 0.0001 Å
• c: 21.0568 ± 0.0003 Å
• α: 90°
• β: 111.442 ± 0.002°
• γ: 90°
• Cell volume: 4630.92 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No