Information card for entry 7234216

Structure parameters

• Chemical name: 4-cyanopyridine 1,3-diiodo-tetrafluorobenzene
• Formula: C12 H4 F4 I2 N2
• Calculated formula: C12 H4 F4 I2 N2
• Title of publication: The Energy Frameworks of Aufbau Synthon Modules in 4-Cyanopyridine Co-crystals.
• Authors of publication: Torubaev, Yury; Skabitskiy, Ivan V.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• a: 4.2751 ± 0.0011 Å
• b: 27.919 ± 0.007 Å
• c: 12.173 ± 0.003 Å
• α: 90°
• β: 93.964 ± 0.007°
• γ: 90°
• Cell volume: 1449.5 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1672
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No