Information card for entry 4132929

Structure parameters

• Formula: C140 H82 B3 Cl4 F72 Pd13
• Calculated formula: C140 H82 B3 Cl4 F72 Pd13
• Title of publication: Three-Dimensional Sandwich Nanocubes Composed of 13-Atom Palladium Core and Hexakis-Carbocycle Shell.
• Authors of publication: Teramoto, Masahiro; Iwata, Kosuke; Yamaura, Hiroshige; Kurashima, Kenta; Miyazawa, Koshi; Kurashige, Yuki; Yamamoto, Koji; Murahashi, Tetsuro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 40
• Pages of publication: 12682 - 12686
• a: 23.2475 ± 0.0004 Å
• b: 22.7475 ± 0.0004 Å
• c: 28.3112 ± 0.0005 Å
• α: 90°
• β: 91.6402 ± 0.0007°
• γ: 90°
• Cell volume: 14965.5 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.0646
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No