Information card for entry 7152523

Structure parameters

• Formula: C53 H72 Ag F3 O7 S Se4
• Calculated formula: C53 H72 Ag F3 O7 S Se4
• Title of publication: Homoselenacalix[4]arenes: synthetic exploration and metallosupramolecular chemistry.
• Authors of publication: Thomas, Joice; Dobrzańska, Liliana; Van Hecke, Kristof; Sonawane, Mahendra P.; Robeyns, Koen; Van Meervelt, Luc; Woźniak, Krzysztof; Smet, Mario; Maes, Wouter; Dehaen, Wim
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 32
• Pages of publication: 6526 - 6536
• a: 13.801 ± 0.007 Å
• b: 27.671 ± 0.012 Å
• c: 31.568 ± 0.016 Å
• α: 90°
• β: 93.689 ± 0.014°
• γ: 90°
• Cell volume: 12030 ± 10 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.094
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No