Information card for entry 7001491

Structure parameters

• Formula: C24 H56 I3 N8 O8 Tb
• Calculated formula: C24 H56 I3 N8 O8 Tb
• SMILES: C(N(C)C)=[O][Tb]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(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: 22.4194 ± 0.0008 Å
• b: 16.0038 ± 0.0005 Å
• c: 11.7079 ± 0.00029 Å
• α: 90°
• β: 100.056 ± 0.0019°
• γ: 90°
• Cell volume: 4136.2 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for all reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.0351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0974
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No