Information card for entry 4116573

Structure parameters

• Common name: 2
• Formula: C125.5 H78 Au2 Cl2 F18 N6 Na O2 P9
• Calculated formula: C125.5 H78 Au2 Cl2 F18 N6 Na O2 P9
• 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: 18.4038 ± 0.0018 Å
• b: 24.336 ± 0.003 Å
• c: 27.089 ± 0.002 Å
• α: 90°
• β: 101.394 ± 0.006°
• γ: 90°
• Cell volume: 11893 ± 2 ų
• Cell temperature: 138 ± 2 K
• Ambient diffraction temperature: 138 ± 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: 0.0974
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No