Information card for entry 4326899

Structure parameters

• Chemical name: (K-crypt)2(Ni2@GeSn16)en
• Formula: C76 H160 Ge K4 N12 Ni2 O24 Sn16
• Calculated formula: C76 H160 Ge K4 N12 Ni2 O24 Sn16
• SMILES: [K]1234567[O]8CC[O]1CC[N]21CC[O]3CC[O]4CC[N]5(CC8)CC[O]6CC[O]7CC1.[K]1234567[O]8CC[O]1CC[N]21CC[O]3CC[O]4CC[N]5(CC8)CC[O]6CC[O]7CC1.[K]1234567[O]8CC[O]1CC[N]21CC[O]3CC[O]4CC[N]5(CC8)CC[O]6CC[O]7CC1.[K]1234567[O]8CC[O]1CC[N]21CC[O]3CC[O]4CC[N]5(CC8)CC[O]6CC[O]7CC1.NCCN.NCCN.[Ge]12([Ni]3456789[Sn]%10%11%12%13[Sn]%14%153[Sn]4%10[Sn]5%11[Sn]37%13[Sn]46%12%14[Sn]83[Sn]9%154)[Ni]3456789[Sn]%10%11[Sn]%1214[Sn]146%10[Sn]6%10%137[Sn]3([Sn]256[Sn]9%114%13)[Sn]8%121%10
• 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: 30.636 ± 0.002 Å
• b: 16.5548 ± 0.0012 Å
• c: 28.872 ± 0.002 Å
• α: 90°
• β: 121.214 ± 0.001°
• γ: 90°
• Cell volume: 12523.3 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No