Information card for entry 7119357

Structure parameters

• Chemical name: 4,4'-Bipyridine; 3,5-dichlorosalicylic acid
• Formula: C24 H16 Cl4 N2 O6
• Calculated formula: C24 H16 Cl4 N2 O6
• SMILES: c1(c(c(cc(c1)Cl)C(=O)O)O)Cl.c1(c(C(=O)O)cc(cc1Cl)Cl)O.c1(c2ccncc2)ccncc1
• 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: 3.795 ± 0.009 Å
• b: 14.7 ± 0.03 Å
• c: 21.4 ± 0.05 Å
• α: 80.7 ± 0.05°
• β: 89.35 ± 0.06°
• γ: 89.09 ± 0.05°
• Cell volume: 1178 ± 5 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: 0.1611
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.231
• Weighted residual factors for all reflections included in the refinement: 0.305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No