Information card for entry 7234214

Structure parameters

• Chemical name: 4-cyanopyridine 1,4 diiodooctafluorobutane
• Formula: C16 H8 F8 I2 N4
• Calculated formula: C16 H8 F8 I2 N4
• 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: 5.166 ± 0.005 Å
• b: 5.694 ± 0.006 Å
• c: 17.261 ± 0.017 Å
• α: 98.37 ± 0.05°
• β: 93.01 ± 0.04°
• γ: 98.12 ± 0.06°
• Cell volume: 495.9 ± 0.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0307
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.265
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No