Information card for entry 1552125

Structure parameters

• Formula: C24 H14 F12 N2 O4 S4 Zn
• Calculated formula: C24 H14 F12 N2 O4 S4 Zn
• Title of publication: Exploring through-bond and through-space magnetic communication in 1,3,2-dithiazolyl radical complexes
• Authors of publication: Leckie, Dominique; Stephaniuk, Nadia T.; Arauzo, Ana; Campo, Javier; Rawson, Jeremy M.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 66
• Pages of publication: 9849 - 9852
• a: 8.4587 ± 0.0004 Å
• b: 8.5811 ± 0.0005 Å
• c: 10.6424 ± 0.0005 Å
• α: 99.8 ± 0.003°
• β: 97.782 ± 0.002°
• γ: 91.947 ± 0.002°
• Cell volume: 752.91 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No