Information card for entry 7202414

Structure parameters

• Chemical name: (5-methoxy-3,3'-bipyridyl)2, (1,4-diiodotetrafluorobenzene)3
• Formula: C40 H20 F12 I6 N4 O2
• Calculated formula: C40 H20 F12 I6 N4 O2
• 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: 7.2012 ± 0.0007 Å
• b: 17.6878 ± 0.0015 Å
• c: 17.7138 ± 0.0016 Å
• α: 89.927 ± 0.004°
• β: 82.869 ± 0.007°
• γ: 88.275 ± 0.006°
• Cell volume: 2237.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1346
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No