Information card for entry 7047990

Structure parameters

• Formula: C77 H90 Ag2 Br2 Cl6 N4 O10
• Calculated formula: C77 H90 Ag2 Br2 Cl6 N4 O10
• Title of publication: Restricting shuttling in bis(imidazolium)…pillar[5]arene rotaxanes using metal coordination.
• Authors of publication: Langer, Philipp; Yang, Lixu; Pfeiffer, Constance R.; Lewis, William; Champness, Neil R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 48
• Journal issue: 1
• Pages of publication: 58 - 64
• a: 12.5204 ± 0.001 Å
• b: 16.9379 ± 0.0008 Å
• c: 19.2586 ± 0.0007 Å
• α: 77.409 ± 0.004°
• β: 80.515 ± 0.005°
• γ: 80.739 ± 0.005°
• Cell volume: 3898.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1889
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2181
• Weighted residual factors for all reflections included in the refinement: 0.2767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No