Information card for entry 7048202

Structure parameters

• Formula: C78.25 H60.17 Ag4 F12 N16 O21.75 S4
• Calculated formula: C78.2501 H60.1674 Ag4 F12 N16 O21.75 S4
• Title of publication: Exploring the reversible host-guest chemistry of a crystalline octanuclear Ag(i) metallosupramolecular macrocycle formed from a simple pyrazinylpyridine ligand.
• Authors of publication: Dalton, Hannah L.; Lynes, Amy D.; Twamley, Brendan; Byrne, Kevin; Schmitt, Wolfgang; Hawes, Chris S.; Gunnlaugsson, Thorfinnur
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 48
• Pages of publication: 17266 - 17275
• a: 12.1193 ± 0.0013 Å
• b: 15.7806 ± 0.0017 Å
• c: 24.659 ± 0.003 Å
• α: 104.421 ± 0.002°
• β: 90.943 ± 0.002°
• γ: 91.173 ± 0.002°
• Cell volume: 4565.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.02 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: 0.116
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No