Information card for entry 7049609

Structure parameters

• Formula: C55 H55 Cu F6 N7 O10 S2
• Calculated formula: C53 H52 Cu F6 N6 O10 S2
• Title of publication: Cu(ii) templated formation of [n]pseudorotaxanes (n = 2, 3, 4) using a tris-amino ether macrocyclic wheel and multidentate axles.
• Authors of publication: Bej, Somnath; Nandi, Mandira; Ghosh, Tamal Kanti; Ghosh, Pradyut
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 20
• Pages of publication: 6853 - 6862
• a: 14.63 ± 0.004 Å
• b: 15.523 ± 0.004 Å
• c: 24.015 ± 0.007 Å
• α: 90°
• β: 98.701 ± 0.009°
• γ: 90°
• Cell volume: 5391 ± 3 ų
• Cell temperature: 127 ± 2 K
• Ambient diffraction temperature: 127.56 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No