Information card for entry 4348545

Structure parameters

• Formula: C39 H57 Au4 Cl4 N6 O5.5
• Calculated formula: C39 H57 Au4 Cl4 N6 O5.5
• SMILES: CC(C)[C@H]1COC(c2cccc(C3=[N]([C@H](CO3)C(C)C)[Au][N]3[C@@H](C(C)C)COC=3c3cccc(C4=[N]([C@H](CO4)C(C)C)[Au]Cl)n3)n2)=[N]1[Au]Cl.CC(=O)C.CCOCC.Cl[Au][Cl-]
• 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: 9.9624 ± 0.0002 Å
• b: 27.3747 ± 0.0006 Å
• c: 18.1167 ± 0.0003 Å
• α: 90°
• β: 95.148 ± 0.002°
• γ: 90°
• Cell volume: 4920.82 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No