Information card for entry 7719958

Structure parameters

• Formula: C40 H70 Br10 N10 O18 Re2 Tb2
• Calculated formula: C40 H70 Br10 N10 O18 Re2 Tb2
• Title of publication: Self-assembly of lanthanide-based Single-Ion Magnets (SIMs) into 1D networks via Re(IV)-based metalloligands
• Authors of publication: Ferrari-Argachá, Carolina; Valiero, Santiago; Rojas-Dotti, Carlos; Loaces, Aparicio; Chiozzone, Raúl; Moliner, Fernando Nicolás; Suescun, Leopoldo; Cano, Joan; Lloret, Francesc; Martínez-Lillo, José; González, Ricardo
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• a: 8.2666 ± 0.0008 Å
• b: 14.8233 ± 0.0014 Å
• c: 15.873 ± 0.0016 Å
• α: 111.919 ± 0.003°
• β: 95.887 ± 0.004°
• γ: 104.942 ± 0.003°
• Cell volume: 1700 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0422
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No