Information card for entry 4126598

Structure parameters

• Formula: C100 H128 Dy3 Fe6 I Li4 O10
• Calculated formula: C100 H128 Dy3 Fe6 I Li4 O10
• Title of publication: Hard Single-Molecule Magnet Behavior By a Linear Trinuclear Lanthanide-[1]Metallocenophane Complex.
• Authors of publication: Latendresse, Trevor P.; Bhuvanesh, Nattamai S.; Nippe, Michael
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 10.9826 ± 0.0018 Å
• b: 13.462 ± 0.002 Å
• c: 17.649 ± 0.003 Å
• α: 101.096 ± 0.006°
• β: 105.259 ± 0.005°
• γ: 104.987 ± 0.006°
• Cell volume: 2334.8 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0651
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No