Information card for entry 7119358

Structure parameters

• Chemical name: 4,4'-Bipyridine; 3,5-dibromophenol
• Formula: C11 H8 Br2 N O
• Calculated formula: C11 H8 Br2 N O
• Title of publication: Using structural modularity in cocrystals to engineer properties: elasticity
• Authors of publication: Subhankar; Saha; Gautam; R.; Desiraju
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7676
• a: 4.183 ± 0.003 Å
• b: 8.769 ± 0.007 Å
• c: 15.366 ± 0.012 Å
• α: 94.1 ± 0.03°
• β: 95.78 ± 0.03°
• γ: 99.68 ± 0.03°
• Cell volume: 550.5 ± 0.7 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: 0.0695
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.189
• 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