Information card for entry 4134394

Structure parameters

• Formula: C713.58 H804.32 N114.89 O350.35 Pd24
• Calculated formula: C713.576 H804.32 N114.888 O350.346 Pd23.992
• Title of publication: A Double-Walled Knotted Cage for Guest-Adaptive Molecular Recognition.
• Authors of publication: Tamura, Yukari; Takezawa, Hiroki; Fujita, Makoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 12
• Pages of publication: 5504 - 5508
• a: 40.908 ± 0.011 Å
• b: 40.908 ± 0.011 Å
• c: 28.479 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 47659 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.1422
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.2218
• Weighted residual factors for all reflections included in the refinement: 0.2719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No