Information card for entry 4106072

Structure parameters

• Chemical name: (K(18-c-6))4[SbGe8-Ge8Sb] 4en
• Formula: C58 H134 Ge16 K4 N10 O24 Sb2
• Calculated formula: C58 H134 Ge16 K4 N10 O24 Sb2
• SMILES: [K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.NCCN.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.NCCN.NCCN.[Ge]123([Ge]45[Ge]67[Ge]34[Sb]37[Ge]47[Ge]1([Ge]234)[Ge]567)[Ge]123[Ge]45[Ge]67[Ge]34[Sb]37[Ge]47[Ge]1([Ge]234)[Ge]567.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.NCCN.NCCN
• Title of publication: "n-Doping" of Deltahedral Zintl Ions
• Authors of publication: Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 6560 - 6562
• a: 14.8186 ± 0.0006 Å
• b: 21.0218 ± 0.0008 Å
• c: 22.1137 ± 0.0009 Å
• α: 90°
• β: 131.022 ± 0.002°
• γ: 90°
• Cell volume: 5197.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No