Information card for entry 4106302

Structure parameters

• Formula: C60 H144 Ga14 N12 S3.29 Se31.71 Sn2 Zn4
• Calculated formula: C60 H144 Ga14 N12 S3.286 Se31.714 Sn2 Zn4
• Title of publication: Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides
• Authors of publication: Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 9616 - 9625
• a: 18.7047 ± 0.001 Å
• b: 18.7047 ± 0.001 Å
• c: 18.7047 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6544.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0578
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No