Information card for entry 4116572

Structure parameters

• Common name: 1
• Formula: C128 H78 Au2 Cl5.5 N6 O12 P6 Tl
• Calculated formula: C128 H78 Au2 Cl5.5 N6 O12 P6 Tl
• Title of publication: Synthesis and Characterization of Trigonal Gold(I) Cage Complexes: Luminescent Metallocryptates Encapsulating Tl(I) and Na+ Ions
• Authors of publication: Vincent J. Catalano; Byron L. Bennett; Heidi M. Kar; Bruce C. Noll
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 10235 - 10236
• a: 18.1764 ± 0.0007 Å
• b: 24.2486 ± 0.0009 Å
• c: 26.3578 ± 0.001 Å
• α: 90°
• β: 101.013 ± 0.001°
• γ: 90°
• Cell volume: 11403.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 138 ± 2 K
• Number of distinct elements: 8
• 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: 0.1594
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No