Information card for entry 4121531

Structure parameters

• Formula: C67.5 H109 N40.5 O54.25 Pd6
• Calculated formula: C67.5 H84 N40.5 O54.25 Pd6
• Title of publication: Mutual induced fit in a synthetic host-guest system.
• Authors of publication: Sawada, Tomohisa; Hisada, Hayato; Fujita, Makoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 12
• Pages of publication: 4449 - 4451
• a: 14.7826 ± 0.0019 Å
• b: 18.527 ± 0.002 Å
• c: 23.715 ± 0.003 Å
• α: 71.071 ± 0.001°
• β: 77.528 ± 0.002°
• γ: 68.304 ± 0.002°
• Cell volume: 5674.3 ± 1.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2044
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No