Information card for entry 4331028

Structure parameters

• Formula: C72 H60 Cu2 I2 Sb4
• Calculated formula: C72 H60 Cu2 I2 Sb4
• SMILES: [Sb]([Cu]12([I][Cu]2([I]1)([Sb](c1ccccc1)(c1ccccc1)c1ccccc1)[Sb](c1ccccc1)(c1ccccc1)c1ccccc1)[Sb](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Structural Characterization of New Cu(I) Complexes with the Antithyroid Drug 6-n-Propyl-thiouracil. Study of the Cu(I)-Catalyzed Intermolecular Cycloaddition of Iodonium Ylides toward Benzo[b]furans with Pharmaceutical Implementations
• Authors of publication: K. Paizanos; D. Charalampou; N. Kourkoumelis; D. Kalpogiannaki; L. Hadjiarapoglou; A. Spanopoulou; K. Lazarou; M. J. Manos; A. J. Tasiopoulos; M. Kubicki; S. K. Hadjikakou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12248 - 12259
• a: 24.4463 ± 0.0006 Å
• b: 13.9088 ± 0.0003 Å
• c: 20.2168 ± 0.0005 Å
• α: 90°
• β: 111.241 ± 0.003°
• γ: 90°
• Cell volume: 6407.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No