Information card for entry 7700882

Structure parameters

• Formula: C29 H14 F15 N4 O4 Zn
• Calculated formula: C29 H14 F15 N4 O4 Zn
• Title of publication: Probing through-space and through-bond magnetic exchange couplings in a new benzotriazinyl radical and its metal complexes.
• Authors of publication: Nasani, Rajendar; Sidharth, Thulaseedharan Nair Sailaja; Roy, Subhadip; Mondal, Arpan; Rawson, Jeremy M.; Konar, Sanjit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 37
• Pages of publication: 14189 - 14200
• a: 13.7227 ± 0.0008 Å
• b: 23.2862 ± 0.0014 Å
• c: 20.7274 ± 0.0011 Å
• α: 90°
• β: 105.37 ± 0.003°
• γ: 90°
• Cell volume: 6386.5 ± 0.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140.01 K
• Number of distinct elements: 6
• 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: 0.1137
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.2026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No