Information card for entry 7133617

Structure parameters

• Formula: C46 H60 N4 Y2
• Calculated formula: C46 H60 N4 Y2
• Title of publication: Implementation of 2,2'-azobispyridine radical mono- and dianions in dinuclear rare earth metal complexes.
• Authors of publication: Delano, 4th, Francis; Demir, Selvan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• a: 9.44889 ± 0.00008 Å
• b: 17.36119 ± 0.00016 Å
• c: 12.52981 ± 0.00012 Å
• α: 90°
• β: 97.9313 ± 0.0008°
• γ: 90°
• Cell volume: 2035.78 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No