Information card for entry 1572989

Structure parameters

• Formula: C50 H86 Dy6 O83 S20
• Calculated formula: C50 H56 Dy6 O68 S20
• Title of publication: A highly conducting tetrathiafulvalene-tetracarboxylate based dysprosium(iii) 2D metal-organic framework with single molecule magnet behaviour.
• Authors of publication: Manna, Fabio; Oggianu, Mariangela; Auban-Senzier, Pascale; Novitchi, Ghenadie; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 46
• Pages of publication: 19247 - 19263
• a: 12.2439 ± 0.001 Å
• b: 15.9738 ± 0.0014 Å
• c: 16.1746 ± 0.0014 Å
• α: 115.689 ± 0.003°
• β: 99.245 ± 0.003°
• γ: 102.148 ± 0.003°
• Cell volume: 2670.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0423
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No