Information card for entry 4112606

Structure parameters

• Common name: 1.(PF6)2.3C6H6
• Formula: C126 H87 Au F12 N6 P8 Pd Tl
• Calculated formula: C126 H87 Au F12 N6 P8 Pd Tl
• Title of publication: Mixed-Metal Metallocryptands. Short Metal-Metal Separations Strengthened by a Dipolar Interaction
• Authors of publication: Vincent J. Catalano; Mark A. Malwitz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 6560 - 6561
• a: 53.796 ± 0.003 Å
• b: 15.2193 ± 0.0007 Å
• c: 29.8943 ± 0.0013 Å
• α: 90°
• β: 109.909 ± 0.001°
• γ: 90°
• Cell volume: 23012.8 ± 1.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.415
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No