Information card for entry 1571614

Structure parameters

• Formula: C88 H136 N4 O2 Sm2
• Calculated formula: C88 H136 N4 O2 Sm2
• 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: 12.8287 ± 0.0002 Å
• b: 13.2492 ± 0.0002 Å
• c: 15.2084 ± 0.0002 Å
• α: 110.299 ± 0.001°
• β: 94.391 ± 0.001°
• γ: 118.829 ± 0.002°
• Cell volume: 2028.27 ± 0.08 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No