Information card for entry 7125446

Structure parameters

• Formula: C36 H32 I16 N4
• Calculated formula: C36 H32 I16 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: 10.1476 ± 0.0007 Å
• b: 13.0508 ± 0.001 Å
• c: 21.8164 ± 0.0017 Å
• α: 94.315 ± 0.006°
• β: 100.436 ± 0.006°
• γ: 97.64 ± 0.006°
• Cell volume: 2801.6 ± 0.4 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: 0.177
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.2019
• Weighted residual factors for all reflections included in the refinement: 0.2618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No