Information card for entry 4116945

Structure parameters

• Formula: Cd58.34 Na49 Sn37.69
• Calculated formula: Cd58.344 Na49 Sn37.692
• Title of publication: Synthesis, Characterization, Electronic Structure, and Bonding of Heteroatomic Deltahedral Clusters: Na49Cd58.5Sn37.5, A Network Structure Containing the First Empty Icosahedron without a Group 13 Element and the Largest closo-Deltahedron
• Authors of publication: Evgeny Todorov; Slavi C. Sevov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 2869 - 2876
• a: 16.034 ± 0.001 Å
• b: 16.034 Å
• c: 50.64 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11275 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.0682
• Goodness-of-fit parameter for all reflections: 1.224
• Goodness-of-fit parameter for significantly intense reflections: 1.252
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No