Information card for entry 7003042

Structure parameters

• Formula: C18 H50 Cu I4 N2 O8 S6 Y
• Calculated formula: C18 H50 Cu I4 N2 O8 S6 Y
• SMILES: I[Cu]([I-])[I-].[Y]([O]=S(C)C)([O]=CN(C)C)([O]=S(C)C)([O]=CN(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.[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: 9.9146 ± 0.0002 Å
• b: 11.7016 ± 0.0002 Å
• c: 37.8947 ± 0.0007 Å
• α: 90°
• β: 96.5889 ± 0.0009°
• γ: 90°
• Cell volume: 4367.38 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• 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: 0.1459
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1436
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No