Information card for entry 7014360

Structure parameters

• Common name: 1,3-alternate-thiacalix[4]-m-benzocrown-4 silver picrate complex
• Chemical name: 1,3-alternate-5,11,17,23-Tetra-tert-butyl-25,27-[1,3- bis(oxyethoxy)benzene]-2,8,14,20 -tetra-thiacalix[4]arene silver picrate complex
• Formula: C114 H124 Ag2 Cl4 N6 O26 S8
• Calculated formula: C114 H124 Ag2 Cl4 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: 13.1544 ± 0.0007 Å
• b: 23.6949 ± 0.0012 Å
• c: 39.29 ± 0.002 Å
• α: 90°
• β: 93.955 ± 0.001°
• γ: 90°
• Cell volume: 12217.2 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• 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: 0.1564
• Residual factor for significantly intense reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.2631
• Weighted residual factors for all reflections included in the refinement: 0.2919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No