Information card for entry 4310018

Structure parameters

• Common name: Tris(triethylsulfonium) hexaiodoneodymate
• Chemical name: Tris(triethylsulfonium) hexaiodoneodymate
• Formula: C18.2 H30 I6 Nd S3
• Calculated formula: C18 I6 Nd S3
• SMILES: [Nd](I)(I)(I)([I-])([I-])[I-].[S+](CC)(CC)CC.[S+](CC)(CC)CC.[S+](CC)(CC)CC
• Title of publication: Rare-Earth Iodides in Ionic Liquids: The Crystal Structure of [SEt3]3[LnI6] (Ln = Nd, Sm)
• Authors of publication: Arash Babai; Anja-Verena Mudring
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8168 - 8169
• a: 19.426 ± 0.002 Å
• b: 18.163 ± 0.003 Å
• c: 21.435 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7563 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.4693
• Residual factor for significantly intense reflections: 0.0926
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.3147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.572
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No