Information card for entry 7207997

Structure parameters

• Formula: C16 H48 I5 O8 S8 Tb
• Calculated formula: C16 H48 I5 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.[I-].[I-]
• Title of publication: Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters
• Authors of publication: Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 3894
• a: 19.474 ± 0.001 Å
• b: 18.597 ± 0.001 Å
• c: 12.222 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4426.3 ± 0.8 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b n a
• Hall space group symbol: -P 2ac 2b
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections: 0.1739
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0551
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No