Information card for entry 7242829

Structure parameters

• Formula: C44 H28 F10 I2 N2
• Calculated formula: C44 H28 F10 I2 N2
• Title of publication: Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes
• Authors of publication: Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 24
• Pages of publication: 4247 - 4251
• a: 7.6854 ± 0.0001 Å
• b: 9.3757 ± 0.0002 Å
• c: 14.3001 ± 0.0003 Å
• α: 78.9336 ± 0.0008°
• β: 76.5682 ± 0.0008°
• γ: 76.3666 ± 0.0007°
• Cell volume: 963.67 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0276
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No