Information card for entry 7719961

Structure parameters

• Formula: C61 H97 Br10 N6 O11 Re2 Tb
• Calculated formula: C61 H97 Br10 N6 O11 Re2 Tb
• 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: 18.4143 ± 0.0007 Å
• b: 35.6069 ± 0.001 Å
• c: 15.8737 ± 0.0008 Å
• α: 90°
• β: 113.926 ± 0.005°
• γ: 90°
• Cell volume: 9513.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No