Information card for entry 4101801

Structure parameters

• Formula: C122.5 H120 N35.5 O45 Pd6
• Calculated formula: C122.484 H120 N35.5 O44.998 Pd6
• Title of publication: Engineering Double to Quintuple Stacks of a Polarized Aromatic in Confined Cavities
• Authors of publication: Yoshihiro Yamauchi; Michito Yoshizawa; Munetaka Akita; Makoto Fujita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 960 - 966
• a: 19.336 ± 0.02 Å
• b: 37.32 ± 0.03 Å
• c: 27.17 ± 0.03 Å
• α: 90°
• β: 100.48 ± 0.04°
• γ: 90°
• Cell volume: 19279 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.4192
• Residual factor for significantly intense reflections: 0.1887
• Weighted residual factors for significantly intense reflections: 0.4415
• Weighted residual factors for all reflections included in the refinement: 0.5792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No