Information card for entry 4112607

Structure parameters

• Common name: 1.(PF6)2.2CHCl3.2CH2Cl2
• Formula: C112 H84 Au Cl10 F12 N6 P8 Pd Tl
• Calculated formula: C112 H84 Au Cl10 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: 17.1939 ± 0.0005 Å
• b: 30.6021 ± 0.0008 Å
• c: 20.6077 ± 0.0006 Å
• α: 90°
• β: 90.02 ± 0.001°
• γ: 90°
• Cell volume: 10843.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1605
• Residual factor for significantly intense reflections: 0.1572
• Weighted residual factors for significantly intense reflections: 0.3925
• Weighted residual factors for all reflections included in the refinement: 0.393
• Goodness-of-fit parameter for all reflections included in the refinement: 5.671
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No