Information card for entry 7001490

Structure parameters

• Formula: C16 H48 I3 O8 S8 Tb
• Calculated formula: C16 H48 I3 O8 S8 Tb
• SMILES: CS(C)=[O][Tb]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.[I-].[I-].[I-]
• Title of publication: Lanthanide complexes in hybrid halometallate materials: interconversion between a novel 2D microporous framework and a 1D zigzag chain structure of iodoargentates templated by octakis-solvated terbium(III) cation
• Authors of publication: Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 25
• Pages of publication: 4954 - 4961
• a: 12.3943 ± 0.0002 Å
• b: 18.6951 ± 0.0004 Å
• c: 17.6863 ± 0.00029 Å
• α: 90°
• β: 99.6061 ± 0.0012°
• γ: 90°
• Cell volume: 4040.68 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0584
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No