Information card for entry 7014359

Structure parameters

• Common name: 1,3-alternate-thiacalix[4]-o-benzocrown-4 silver picrate complex
• Chemical name: 1,3-alternate-5,11,17,23-Tetra-tert-butyl-25,27-[1,2- bis(oxyethoxy)benzene]-2,8,14,20 -tetra-thiacalix[4]arene silver picrate complex
• Formula: C116 H124 Ag2 Cl12 N6 O26 S8
• Calculated formula: C116 H124 Ag2 Cl12 N6 O26 S8
• Title of publication: Different metal-ion-induced dimeric self-assembling cavities based on thiacalix[4]benzocrown-4 isomers.
• Authors of publication: Li, Xiong; Li, Yan; Yang, Wei-Ping; Chen, Yuan-Yin; Gong, Shu-Ling
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 2
• Pages of publication: 367 - 376
• a: 13.9789 ± 0.0013 Å
• b: 19.0304 ± 0.0018 Å
• c: 26.184 ± 0.003 Å
• α: 74.579 ± 0.002°
• β: 75.176 ± 0.002°
• γ: 77.048 ± 0.002°
• Cell volume: 6399.6 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No