Information card for entry 7706194

Structure parameters

• Chemical name: [Zn2(PDIeCy)(OTf)4]
• Formula: C37 H53 F12 N7 O12 S4 Zn2
• Calculated formula: C37 H53 F12 N7 O12 S4 Zn2
• Title of publication: Neighbouring effects on catalytic epoxidation by Fe-cyclam in M₂-PDIxCy complexes.
• Authors of publication: Hofmann, Andreas J.; Niederegger, Lukas; Hess, Corinna R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 48
• Pages of publication: 17642 - 17648
• a: 12.8764 ± 0.0016 Å
• b: 15.6215 ± 0.0019 Å
• c: 15.7745 ± 0.0019 Å
• α: 71.766 ± 0.005°
• β: 77.414 ± 0.005°
• γ: 80.424 ± 0.005°
• Cell volume: 2924.7 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0919
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No