Information card for entry 7117061

Structure parameters

• Formula: C120 H134 N34 Ni4 O20 Tb2 W2
• Calculated formula: C120 H134 N34 Ni4 O20 Tb2 W2
• Title of publication: On the importance of ferromagnetic exchange between transition metals in field-free SMMs: examples of ring-shaped hetero-trimetallic [(LnNi2){W(CN)8}]2 compounds
• Authors of publication: Sebastien Dhers; Jean-Pierre Costes; Philippe Guionneau; Carley Paulsen; Laure Vendier; Jean-Pascal Sutter
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 7875
• a: 16.7341 ± 0.0008 Å
• b: 20.6199 ± 0.0008 Å
• c: 20.8979 ± 0.0008 Å
• α: 87.881 ± 0.005°
• β: 89.214 ± 0.005°
• γ: 74.309 ± 0.005°
• Cell volume: 6937.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1262
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.2174
• Weighted residual factors for all reflections included in the refinement: 0.2307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No