Information card for entry 4340025

Structure parameters

• Formula: C54 H57 Ag2 B2 F8 N14 O1.5
• Calculated formula: C50 H47 Ag2 B1.5 F6 N14 O0.5
• SMILES: [Ag]1([n]2c(CN(Cc3[n](c4ccccc4[nH]3)[Ag]34)Cc5[n]1c1ccccc1[nH]5)[nH]c1c2cccc1)[n]1c(CN(Cc2[n]4c4c(cccc4)[nH]2)Cc2[n]3c3ccccc3[nH]2)[nH]c2c1cccc2.CCOCC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Copper and Silver Complexes of Tris(triazole)amine and Tris(benzimidazole)amine Ligands: Evidence that Catalysis of an Azide-Alkyne Cycloaddition ("Click") Reaction by a Silver Tris(triazole)amine Complex Arises from Copper Impurities.
• Authors of publication: Connell, Timothy U.; Schieber, Christine; Silvestri, Ilaria Proietti; White, Jonathan M.; Williams, Spencer J.; Donnelly, Paul S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6503 - 6511
• a: 14.2453 ± 0.0011 Å
• b: 16.5697 ± 0.0015 Å
• c: 26.1993 ± 0.0018 Å
• α: 93.61 ± 0.006°
• β: 97.437 ± 0.006°
• γ: 113.695 ± 0.008°
• Cell volume: 5569.9 ± 0.9 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 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: 0.225
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1948
• Goodness-of-fit parameter for all reflections included in the refinement: 0.685
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No