Information card for entry 7053205

Structure parameters

• Formula: C30 H34 Ag2 F6 N14 O8 S2
• Calculated formula: C30 H34 Ag2 F6 N14 O8 S2
• SMILES: c1(C)cc(C)n2[n]1[Ag]1(OS(=O)(=O)C(F)(F)F)[n]3c2nc(nc3n2c(cc([n]12)C)C)OC
• Title of publication: Experimental and theoretical evidence of unsupported Ag‒Ag interactions in complexes with triazine-based ligands. Subtle effects of the symmetry of the triazine substituents
• Authors of publication: Pilar Carranza, M.; Manzano, Blanca R.; Jalón, Félix A.; Rodríguez, Ana M.; Santos, Lucía; Moreno, Miquel
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 10
• Pages of publication: 3183
• a: 8.9492 ± 0.0006 Å
• b: 13.8345 ± 0.0009 Å
• c: 16.1715 ± 0.0011 Å
• α: 90°
• β: 101.784 ± 0.001°
• γ: 90°
• Cell volume: 1960 ± 0.2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No