Information card for entry 7719959

Structure parameters

• Formula: C20.67 H39.67 Br3.33 N1.67 O3 Re0.67
• Calculated formula: C20.6667 H39.6667 Br3.33333 N1.66667 O3 Re0.666667
• 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: 27.5898 ± 0.001 Å
• b: 18.1029 ± 0.0007 Å
• c: 17.3668 ± 0.0006 Å
• α: 90°
• β: 107.945 ± 0.001°
• γ: 90°
• Cell volume: 8252 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0579
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No