Information card for entry 7234217

Structure parameters

• Chemical name: 4-cyanopyridine 1,2-diiodoethene
• Formula: C7 H4 I N2
• Calculated formula: C7 H4 I 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: 4.2421 ± 0.0003 Å
• b: 7.0061 ± 0.0006 Å
• c: 27.717 ± 0.002 Å
• α: 90°
• β: 93.154 ± 0.003°
• γ: 90°
• Cell volume: 822.52 ± 0.11 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• 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: 0.0848
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No