Information card for entry 1550885

Structure parameters

• Formula: C78 H130 Dy2 N4 O14
• Calculated formula: C78 H130 Dy2 N4 O14
• Title of publication: Quantum Tunnelling of the Magnetisation in Single-Molecule Magnet Isotopologue Dimers
• Authors of publication: Moreno-Pineda, Eufemio; Taran, Gheorghe; Wernsdorfer, Wolfgang; Ruben, Mario
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 10.8671 ± 0.0002 Å
• b: 13.8736 ± 0.0003 Å
• c: 14.8582 ± 0.0003 Å
• α: 91.995 ± 0.002°
• β: 93.347 ± 0.002°
• γ: 107.53 ± 0.002°
• Cell volume: 2129.2 ± 0.08 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.0282
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No