Information card for entry 7207994

Structure parameters

• Formula: C16 H48 Cu2 I5 O8 S8 Tb
• Calculated formula: C16 H48 Cu2 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[Cu]([I][Cu](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: 11.1937 ± 0.0005 Å
• b: 9.8578 ± 0.0002 Å
• c: 20.458 ± 0.0009 Å
• α: 90°
• β: 91.604 ± 0.002°
• γ: 90°
• Cell volume: 2256.56 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections: 0.1631
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9636
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No