Information card for entry 7118470

Structure parameters

• Formula: C14 H13 N8 O8 S Y
• Calculated formula: C14 H13 N8 O8 S Y
• Title of publication: Connecting mononuclear dysprosium single-molecule magnets to form dinuclear complexes via in situ ligand oxidation
• Authors of publication: Yutronkie, Nathan J.; Kühne, Irina A; Korobkov, Ilia; Brusso, Jaclyn L.; Murugesu, Muralee
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 677 - 680
• a: 9.347 ± 0.002 Å
• b: 10.531 ± 0.002 Å
• c: 11.323 ± 0.002 Å
• α: 69.422 ± 0.005°
• β: 77.684 ± 0.005°
• γ: 77.232 ± 0.005°
• Cell volume: 1006.4 ± 0.3 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: 0.1191
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7118195
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No