Information card for entry 7152524

Structure parameters

• Formula: C52 H72 Ag F6 O4 P Se4
• Calculated formula: C52 H72 Ag F6 O4 P 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: 13.994 ± 0.002 Å
• b: 13.994 ± 0.002 Å
• c: 14.223 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2785.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 118
• Hermann-Mauguin space group symbol: P -4 n 2
• Hall space group symbol: P -4 -2n
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No