Information card for entry 4510812

Structure parameters

• Formula: C66 H76 O11
• Calculated formula: C66 H76 O11
• Title of publication: Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)
• Authors of publication: Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 1
• a: 16.378 ± 0.005 Å
• b: 18.037 ± 0.005 Å
• c: 23.771 ± 0.007 Å
• α: 103.79°
• β: 102.499 ± 0.004°
• γ: 111.865 ± 0.004°
• Cell volume: 5955 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1905
• Residual factor for significantly intense reflections: 0.1458
• Weighted residual factors for significantly intense reflections: 0.2936
• Weighted residual factors for all reflections included in the refinement: 0.3235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.502
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No