Information card for entry 7202411

Structure parameters

• Chemical name: 4-(pyrazol-3-yl)pyridine, 1,4-diiodotetrafluorobenzene
• Formula: C14 H7 F4 I2 N3
• Calculated formula: C14 H7 F4 I2 N3
• Title of publication: Ten years of co-crystal synthesis; the good, the bad, and the ugly
• Authors of publication: Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 1816
• a: 7.1917 ± 0.0005 Å
• b: 24.644 ± 0.002 Å
• c: 8.7269 ± 0.0007 Å
• α: 90°
• β: 100.535 ± 0.005°
• γ: 90°
• Cell volume: 1520.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0623
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No