Information card for entry 7108486

Structure parameters

• Common name: tetrakis((1,4,7,10,13,16-hexaoxacyclooctadecane)-cesium) tetra-bismuth-tetra-tin ammoniate
• Chemical name: tetrakis((1,4,7,10,13,16-hexaoxacyclooctadecane)-cesium) tetra-bismuth-tetra-tin ammoniate
• Formula: C48 H132 Bi4 Cs4 N12 O24 Sn4
• Calculated formula: C48 H114 Bi4 Cs4 N12 O24 Sn4
• SMILES: [Bi]12[Bi][Sn]3[Bi]4[Sn]51[Sn]12[Bi]3[Sn]451.[Cs]12345[O]6CC[O]5CC[O]3CC[O]2CC[O]4CC[O]1CC6.[Cs]12345[O]6CC[O]1CC[O]2CC[O]5CC[O]4CC[O]3CC6.[Cs]12345[O]6CC[O]3CC[O]5CC[O]1CC[O]4CC[O]2CC6.[Cs]12345([O]6CC[O]3CC[O]2CC[O]4CC[O]5CC[O]1CC6)[NH3].N.N.N.N.N.N.N.N.N.N.N
• Title of publication: Synthesis of Heteroatomic Zintl Anions in Liquid Ammonia - the New Highly Charged [Sn~4~Bi~4~]^ 4‒^ and Fully Ordered [Sn~2~Bi~2~] ^2‒^
• Authors of publication: Ute Friedrich; Maria Neumeier; Carina Koch; Nikolaus Korber
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10544
• a: 15.5211 ± 0.0002 Å
• b: 16.7664 ± 0.0002 Å
• c: 21.7756 ± 0.0002 Å
• α: 72.442 ± 0.001°
• β: 87.793 ± 0.001°
• γ: 62.57 ± 0.001°
• Cell volume: 4761.41 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0612
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No