Information card for entry 7104031

Structure parameters

• Common name: bis(6,6'-ethynyl-4-pyridine)2,2'-bipyridyl silver hexafluoroantimonate
• Chemical name: bis(6,6'-ethynyl-4-pyridine)2,2'-bipyridyl silver hexafluoroantimonate
• Formula: C168 H120 Ag6 F36 N36 Sb6
• Calculated formula: C168 H108 Ag6 F36 N36 Sb6
• SMILES: c12cccc3C#Cc4cc[n](cc4)[Ag]45[n]6c7c8cccc(C#Cc9cc[n]([Ag]%10%11[n]%12c%13c%14cccc(C#Cc%15cc[n]([Ag]%16([n]13)[n]1c2cccc1C#Cc1cc[n]([Ag]23[n]%17ccc(C#Cc%18cccc%19[n]%18[Ag]([n]%18c%19cccc%18C#Cc%18cc[n]5cc%18)([n]5ccc(C#Cc%12ccc%13)cc5)[n]5ccc(C#Cc%12cccc%13c%18cccc(C#Cc%19cc[n]%16cc%19)[n]%18[Ag]([n]%12%13)([n]%12ccc(C#Cc6ccc7)cc%12)[n]6ccc(C#Cc7cccc(c%12cccc(C#Cc%13cc[n]%11cc%13)[n]2%12)[n]37)cc6)cc5)cc%17)cc1)cc%15)[n]%10%14)cc9)[n]48.C(#N)C.C(#N)C.C(#N)C.C(#N)C.C(#N)C.C(#N)C.F[Sb](F)(F)(F)(F)[F-].[F-][Sb](F)(F)(F)(F)F.F[Sb](F)(F)(F)(F)[F-].F[Sb](F)(F)(F)([F-])F.C(#N)C.C(#N)C.C(#N)C.C(#N)C.C(#N)C.C(#N)C.[F-][Sb](F)(F)(F)(F)F.F[Sb](F)(F)(F)(F)[F-]
• Title of publication: A novel synthetic strategy for hexanuclear supramolecular architectures
• Authors of publication: Dolomanov, Oleg V; Blake, Alexander J; Champness, Neil R; Schröder, Martin; Wilson, Claire
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 682 - 683
• a: 15.971 ± 0.005 Å
• b: 18.961 ± 0.006 Å
• c: 19.029 ± 0.006 Å
• α: 113.311 ± 0.004°
• β: 96.282 ± 0.005°
• γ: 113.352 ± 0.004°
• Cell volume: 4610 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1856
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.2485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No