Information card for entry 7202409

Structure parameters

• Chemical name: bis[N-(3-pyridyl)acetamide], 1,4-diiodotetrafluorobenzene
• Formula: C20 H16 F4 I2 N4 O2
• Calculated formula: C20 H16 F4 I2 N4 O2
• SMILES: Ic1c(F)c(F)c(I)c(F)c1F.n1cc(NC(=O)C)ccc1.n1cc(NC(=O)C)ccc1
• 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: 4.2616 ± 0.0009 Å
• b: 29.232 ± 0.006 Å
• c: 17.734 ± 0.004 Å
• α: 90°
• β: 90.86 ± 0.004°
• γ: 90°
• Cell volume: 2209 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No