Information card for entry 4102796

Structure parameters

• Formula: C60 H144 Cu2 Ga16 N12 Se35 Sn2
• Calculated formula: C60 H144 Cu2 Ga16 N12 Se35 Sn2
• Title of publication: Largest Molecular Clusters in the Supertetrahedral Tn Series
• Authors of publication: Tao Wu; Le Wang; Xianhui Bu; Victoria Chau; Pingyun Feng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 10823 - 10831
• a: 18.8019 ± 0.0001 Å
• b: 18.8019 ± 0.0001 Å
• c: 18.8019 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6646.69 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No