Information card for entry 1571613

Structure parameters

• Formula: C41 H65 I2 N2 O Sm
• Calculated formula: C41 H65 I2 N2 O Sm
• Title of publication: Neutral inverse-sandwich rare-earth metal complexes of the benzene tetraanion.
• Authors of publication: Wang, Yi; Zhang, Yurou; Liang, Jiefeng; Tan, Bowen; Deng, Chong; Huang, Wenliang
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 23
• Pages of publication: 8740 - 8749
• a: 12.5729 ± 0.0003 Å
• b: 21.8852 ± 0.0004 Å
• c: 15.9583 ± 0.0003 Å
• α: 90°
• β: 99.806 ± 0.002°
• γ: 90°
• Cell volume: 4326.94 ± 0.16 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• 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: 0.048
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No