Information card for entry 4503816

Structure parameters

• Common name: 2:1 Complex of 4HBA + BPEA
• Chemical name: 2:1 Complex of 4-hydroxybenzoic acid and 1,2-bis(4-pyridine)ethane
• Formula: C26 H24 N2 O6
• Calculated formula: C26 H24 N2 O6
• Title of publication: Hierarchy of Supramolecular Synthons: Persistent Carboxylic Acid···Pyridine Hydrogen Bonds in Cocrystals That also Contain a Hydroxyl Moiety
• Authors of publication: Shattock, Tanise R.; Arora, Kapildev K.; Vishweshwar, Peddy; Zaworotko, Michael J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 4533
• a: 7.367 ± 0.009 Å
• b: 23.716 ± 0.003 Å
• c: 12.552 ± 0.015 Å
• α: 90°
• β: 103.033 ± 0.002°
• γ: 90°
• Cell volume: 2137 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No