Information card for entry 4112608

Structure parameters

• Common name: 1.(BF4)2.2.5CH2Cl2
• Formula: C110.5 H84 Au B2 Cl5 F8 N6 P6 Pd Tl
• Calculated formula: C110.5 H84 Au B2 Cl5 F8 N6 P6 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: 17.5229 ± 0.0013 Å
• b: 29.432 ± 0.002 Å
• c: 19.2201 ± 0.0014 Å
• α: 90°
• β: 92.479 ± 0.001°
• γ: 90°
• Cell volume: 9903.2 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 10
• 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: 0.0887
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No