Information card for entry 7125445

Structure parameters

• Formula: C36 H32 I14 N4
• Calculated formula: C36 H32 I14 N4
• Title of publication: Infinite supramolecular pseudo-polyrotaxane with poly[3]catenane axle: assembling nanosized rings from mono- and diatomic I^- and I₂ tectons.
• Authors of publication: Savastano, Matteo; Bazzicalupi, Carla; Gellini, Cristina; Bianchi, Antonio
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 551 - 554
• a: 10.3325 ± 0.0002 Å
• b: 12.4358 ± 0.0003 Å
• c: 21.5144 ± 0.0005 Å
• α: 95.149 ± 0.002°
• β: 99.946 ± 0.002°
• γ: 98.812 ± 0.002°
• Cell volume: 2671.52 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No