Information card for entry 7234219

Structure parameters

• Chemical name: 1,4-diiodotetrafluorobenzene 4-cyanopyridine
• 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: 4.3341 ± 0.0005 Å
• b: 6.2294 ± 0.0006 Å
• c: 26.005 ± 0.003 Å
• α: 88.445 ± 0.004°
• β: 87.48 ± 0.004°
• γ: 82.788 ± 0.004°
• Cell volume: 695.71 ± 0.13 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: 0.072
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.291
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No