Information card for entry 7700293

Structure parameters

• Formula: C63 H80 Cu2 Gd2 I2 N15 O21
• Calculated formula: C63 H80 Cu2 Gd2 I2 N15 O21
• Title of publication: Copper(i) iodide cluster-based lanthanide organic frameworks: synthesis and application as efficient catalysts for carboxylative cyclization of propargyl alcohols with CO₂ under mild conditions.
• Authors of publication: Wu, Zhilei; Lan, Xingwang; Zhang, Yaxin; Li, Meng; Bai, Guoyi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 29
• Pages of publication: 11063 - 11069
• a: 12.9904 ± 0.0005 Å
• b: 13.0609 ± 0.0005 Å
• c: 13.471 ± 0.0006 Å
• α: 65.919 ± 0.002°
• β: 86.02 ± 0.002°
• γ: 82.341 ± 0.002°
• Cell volume: 2067.76 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No