Information card for entry 4102794

Structure parameters

• Chemical name: catena-(octakis(2-Methylpiperidinium) tritriaconta-selenido-tetradeca-gallium-tetra-zinc-di-tin)
• Formula: C48 H112 Ga14 N8 Se33 Sn2 Zn4
• Calculated formula: C10 Ga14 Se32.98 Sn2 Zn4
• 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: 24.1584 ± 0.0012 Å
• b: 24.1584 ± 0.0012 Å
• c: 41.931 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24472 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No