Information card for entry 7003041

Structure parameters

• Formula: C16 H48 Cu2 I5 O8 S8 Y
• Calculated formula: C16 H48 Cu2 I5 O8 S8 Y
• SMILES: CS(C)=[O][Y]([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)[I][Cu](I)I
• Title of publication: Crystal-to-crystal transformations in heterometallic yttrium(iii)‒copper(i) iodide derivatives in a confined solvent-free environment: Influence of solvated yttrium cations on the nuclearity and dimensionality of iodocuprate clusters
• Authors of publication: Mishra, Shashank; Jeanneau, Erwann; Chermette, Henry; Daniele, Stéphane; Hubert-Pfalzgraf, Liliane G.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 5
• Pages of publication: 620 - 630
• a: 11.1838 ± 0.0002 Å
• b: 9.8576 ± 0.0002 Å
• c: 23.069 ± 0.004 Å
• α: 90°
• β: 117.643 ± 0.001°
• γ: 90°
• Cell volume: 2253 ± 0.4 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/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for all reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0791
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No