Information card for entry 1552124

Structure parameters

• Formula: C24 H14 Co F12 N2 O4 S4
• Calculated formula: C24 H14 Co F12 N2 O4 S4
• 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: 8.4591 ± 0.0004 Å
• b: 8.6474 ± 0.0004 Å
• c: 10.5245 ± 0.0005 Å
• α: 100.022 ± 0.004°
• β: 98.821 ± 0.003°
• γ: 92.677 ± 0.004°
• Cell volume: 747.01 ± 0.06 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0805
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No