Information card for entry 7239489

Structure parameters

• Formula: C44 H34 Cl4 N12 O17
• Calculated formula: C44 H34 Cl4 N12 O17
• Title of publication: Designed self-assemblies based on cooperative noncovalent interactions including anion‒π, lone-pair electron‒π and hydrogen bonding
• Authors of publication: Liu, Wei; Wang, Qi-Qiang; Wang, Yuanyuan; Huang, Zhi-Tang; Wang, De-Xian
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 18
• Pages of publication: 9339
• a: 13.47 ± 0.003 Å
• b: 12.046 ± 0.002 Å
• c: 30.738 ± 0.006 Å
• α: 90°
• β: 92.59 ± 0.03°
• γ: 90°
• Cell volume: 4982.4 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1316
• Residual factor for significantly intense reflections: 0.118
• Weighted residual factors for significantly intense reflections: 0.2428
• Weighted residual factors for all reflections included in the refinement: 0.2509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.279
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No