Information card for entry 7706281

Structure parameters

• Formula: C68 H57 Ag2 F6 N14 O7 S2
• Calculated formula: C68 H57 Ag2 F6 N14 O7 S2
• SMILES: [Ag]12[Ag](c3n(n[n+](c3c3ccccc3)c3ccccc3)Cn3n[n+](c4ccccc4)c(c4ccccc4)c23)c2n(C[n+]3nn(c4ccccc4)c(c4ccccc4)c13)n[n+](c2c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.[C]#C[N].CC#N.O(CC)CC
• Title of publication: Copper(I) complexes bearing mesoionic carbene ligands: influencing the activity in catalytic halo-click reactions.
• Authors of publication: Suntrup, Lisa; Beerhues, Julia; Etzold, Oliver; Sarkar, Biprajit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 15504 - 15510
• a: 14.906 ± 0.005 Å
• b: 15.174 ± 0.005 Å
• c: 15.306 ± 0.005 Å
• α: 81.103 ± 0.005°
• β: 88.574 ± 0.005°
• γ: 84.738 ± 0.005°
• Cell volume: 3406 ± 2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.2124
• Weighted residual factors for all reflections included in the refinement: 0.2258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No