Information card for entry 7700914

Structure parameters

• Chemical name: bis(bis(tris(1H-pyrazol-1-yl)hydroborate))u-2,5-dibromo-3,6-dihydroxy-1,4-benzoquinone didysprosium
• Formula: C42 H42 B4 Dy2 F2 N24 O5
• Calculated formula: C42 H40 B4 Dy2 F2 N24 O4
• 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: 11.79 ± 0.002 Å
• b: 18.47 ± 0.004 Å
• c: 12.25 ± 0.003 Å
• α: 90°
• β: 104.23 ± 0.03°
• γ: 90°
• Cell volume: 2585.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0456
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No