Information card for entry 4326901

Structure parameters

• Chemical name: (K-crypt)3(KSn9)
• Formula: C54 H108 K4 N6 Ni O18 Sn9
• Calculated formula: C54 H108 K4 N6 Ni O18 Sn9
• SMILES: [Ni]12345678[Sn]9%10%11[Sn]%12%13%141[Sn]1%1529[Sn]29%165[Sn]53([Sn]4%122([Sn]7%11%135)[Sn]8%14%15%16)[Sn]6%1019.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.[K]1234567[N]89CC[O]3CC[O]2CC[N]1(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.[K+]
• 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: 15.8028 ± 0.0008 Å
• b: 16.235 ± 0.0009 Å
• c: 20.176 ± 0.0012 Å
• α: 98.714 ± 0.001°
• β: 104.469 ± 0.001°
• γ: 118.389 ± 0.001°
• Cell volume: 4181.5 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No