Information card for entry 4101363

Structure parameters

• Formula: C92 H82 Cl4 N4 P2 S2
• Calculated formula: C92 H84 Cl4 N4 P2 S2
• Title of publication: Phosphorus-containing hybrid calixphyrins: promising mixed-donor ligands for visible and efficient palladium catalysts.
• Authors of publication: Matano, Yoshihiro; Miyajima, Tooru; Nakabuchi, Takashi; Imahori, Hiroshi; Ochi, Noriaki; Sakaki, Shigeyoshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 36
• Pages of publication: 11760 - 11761
• a: 26.188 ± 0.005 Å
• b: 10.1923 ± 0.0017 Å
• c: 31.765 ± 0.006 Å
• α: 90°
• β: 112.779 ± 0.0005°
• γ: 90°
• Cell volume: 7817 ± 2 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No