Information card for entry 7244919

Structure parameters

• Formula: C36 H26 F4 I2 N2 O4
• Calculated formula: C36 H26 F4 I2 N2 O4
• Title of publication: Cooperative non-covalent interactions and synthetic feed as driving forces to structural diversity within organic co-crystals containing isosteric perhalobenzenes
• Authors of publication: Bosch, Eric; Ferrence, Gregory M.; Powell, Conrad; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 6.267 ± 0.0001 Å
• b: 11.0627 ± 0.0002 Å
• c: 12.1817 ± 0.0003 Å
• α: 76.276 ± 0.002°
• β: 83.834 ± 0.002°
• γ: 83.2 ± 0.002°
• Cell volume: 811.91 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No