Information card for entry 7700912

Structure parameters

• Formula: C44 H44 B4 Br2 Cl4 N24 O4 Y2
• Calculated formula: C44 H44 B4 Br2 Cl4 N24 O4 Y2
• Title of publication: Tetraoxolene-bridged rare-earth complexes: a radical-bridged dinuclear Dy single-molecule magnet.
• Authors of publication: Reed, William R.; Dunstan, Maja A.; Gable, Robert W.; Phonsri, Wasinee; Murray, Keith S.; Mole, Richard A.; Boskovic, Colette
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 41
• Pages of publication: 15635 - 15645
• a: 14.088 ± 0.0004 Å
• b: 15.0798 ± 0.0003 Å
• c: 14.8048 ± 0.0003 Å
• α: 90°
• β: 107.921 ± 0.003°
• γ: 90°
• Cell volume: 2992.59 ± 0.13 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No