Information card for entry 7129912

Structure parameters

• Formula: C72 H48 F12 I12 N6
• Calculated formula: C72 H48 F12 I12 N6
• Title of publication: Supramolecular Networks by Imine Halogen Bonding
• Authors of publication: Nieland, Esther; Komisarek, Daniel; Hohloch, Stephan; Wurst, Klaus; Vasylyeva, Vera; Weingart, Oliver; Schmidt, Bernd M.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 15.1876 ± 0.0003 Å
• b: 15.3098 ± 0.0002 Å
• c: 23.9698 ± 0.0004 Å
• α: 89.922 ± 0.001°
• β: 85.674 ± 0.001°
• γ: 60.309 ± 0.002°
• Cell volume: 4823.73 ± 0.17 ų
• Cell temperature: 99.98 ± 0.16 K
• Ambient diffraction temperature: 99.98 ± 0.16 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No