Information card for entry 7105614

Structure parameters

• Formula: C134 H167 N53.8 O82.4 Pd6
• Calculated formula: C134 H167 N53.8 O82.4 Pd6
• Title of publication: Both [2+2] and [2+4] additions of inert aromatics via identical ternary host‒guest complexes
• Authors of publication: Horiuchi, Shinnosuke; Nishioka, Yuki; Murase, Takashi; Fujita, Makoto
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 3460
• a: 26.0405 ± 0.0017 Å
• b: 26.0405 ± 0.0017 Å
• c: 31.603 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21430 ± 2 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1896
• Weighted residual factors for all reflections included in the refinement: 0.2255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No