Information card for entry 4120762

Structure parameters

• Formula: C22.25 H25 Cl2 Dy N3 O6.25
• Calculated formula: C22.25 H25 Cl2 Dy N3 O6.25
• Title of publication: Significant Enhancement of Energy Barriers in Dinuclear Dysprosium Single-Molecule Magnets Through Electron-Withdrawing Effects
• Authors of publication: Fatemah Habib; Gabriel Brunet; Veacheslav Vieru; Ilia Korobkov; Liviu F. Chibotaru; Muralee Murugesu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 13242 - 13245
• a: 11.161 ± 0.0006 Å
• b: 11.5902 ± 0.0006 Å
• c: 12.2363 ± 0.0007 Å
• α: 96.122 ± 0.002°
• β: 109.199 ± 0.002°
• γ: 118.713 ± 0.002°
• Cell volume: 1242.3 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No