Information card for entry 4326902

Structure parameters

• Chemical name: (K-18-crown-6)2(Ken)(K)(Ni@Sn9)en
• Formula: C54 H120 K8 N6 Ni0.64 O24 Sn18
• Calculated formula: C54 H120 K8 N6 Ni0.64 O24 Sn18
• Title of publication: Metal-Centered Deltahedral Zintl Ions: Synthesis of [Ni@Sn9]4- by direct Extraction from Intermetallic Precursors and of the Vertex-Fused Dimer [{Ni@Sn8(μ-Ge)1/2}2]4-
• Authors of publication: Miriam M. Gillett-Kunnath; Joseph I. Paik; Sara M. Jensen; Jacob D. Taylor; Slavi C. Sevov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11695 - 11701
• a: 10.4153 ± 0.0005 Å
• b: 25.6788 ± 0.0011 Å
• c: 20.663 ± 0.0009 Å
• α: 90°
• β: 102.53 ± 0.002°
• γ: 90°
• Cell volume: 5394.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2378
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No