Information card for entry 4348538

Structure parameters

• Formula: C36 H46 Ag2 F6 N6 O10 S2
• Calculated formula: C36 H46 Ag2 F6 N6 O10 S2
• SMILES: CC(C)[C@H]1COC2c3cccc(C4=[N]([C@H](CO4)C(C)C)[Ag]4[n]5c(C6=[N]([C@@H](C(C)C)CO6)[Ag]([N]1=2)OS(=O)(=O)C(F)(F)F)cccc5C1=[N]4[C@H](CO1)C(C)C)n3.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: 13.5986 ± 0.0001 Å
• b: 21.2402 ± 0.0002 Å
• c: 31.0125 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8957.56 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0472
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No