Information card for entry 4318743

Structure parameters

• Formula: C162 H378 Cu20 Hg15 P18 Se25
• Calculated formula: C162 Cu20.04 Hg15.02 P18 Se25
• Title of publication: Ternary Nanoclusters of CuHgS, CuHgSe, and CuInS
• Authors of publication: Diem T. T. Tran; Lianne M. C. Beltran; Collin M. Kowalchuk; Nicholas R. Trefiak; Nicholas J. Taylor; John F. Corrigan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5693 - 5698
• a: 23.783 ± 0.0006 Å
• b: 23.783 ± 0.0006 Å
• c: 43.2493 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 21185.7 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.2094
• Weighted residual factors for all reflections included in the refinement: 0.23
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No