Information card for entry 7134002

Structure parameters

• Formula: C148 H176 F12 Lu4 N16 O36 S4
• Calculated formula: C148 H144 F12 Lu4 N16 O36 S4
• Title of publication: Synthesis of Macrocyclic Salen Rare-Earth Complexes and Their Framework Conversion Regulated by Coordination Sphere Engineering
• Authors of publication: Liu, Yi-Fu; Gil-Ramírez, Guzmán; Nakamura, Takashi
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 10.4748 ± 0.0006 Å
• b: 31.686 ± 0.0015 Å
• c: 32.6723 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10844.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No