Information card for entry 7209806

Structure parameters

• Formula: C16 H8 F8 I2 N4 O
• Calculated formula: C16 H8 F8 I2 N4 O
• Title of publication: Halogen bond directionality translates tecton geometry into self-assembled architecture geometry
• Authors of publication: Saccone, Marco; Cavallo, Gabriella; Metrangolo, Pierangelo; Pace, Andrea; Pibiri, Ivana; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 3102
• a: 8.0406 ± 0.0012 Å
• b: 22.942 ± 0.003 Å
• c: 11.6153 ± 0.0015 Å
• α: 90°
• β: 108.4 ± 0.012°
• γ: 90°
• Cell volume: 2033.1 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No