Information card for entry 7246354

Structure parameters

• Formula: C23 H27 Fe N2 O6
• Calculated formula: C23 H27 Fe N2 O6
• SMILES: [Fe]1234(Oc5c(C=[N]4CC(C[N]3=Cc3c(O2)c(OC)ccc3)(C)C)cccc5OC)[O]=C(O1)C
• Title of publication: A highly active, thermally robust iron(iii)/potassium(i) heterodinuclear catalyst for bio-derived epoxide/anhydride ring-opening copolymerizations
• Authors of publication: Diment, Wilfred T.; Rosetto, Gloria; Ezaz-Nikpay, Noura; Kerr, Ryan W. F.; Williams, Charlotte K.
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 6
• Pages of publication: 2262 - 2267
• a: 9.0238 ± 0.0002 Å
• b: 12.9234 ± 0.0002 Å
• c: 19.4802 ± 0.0003 Å
• α: 90°
• β: 96.797 ± 0.002°
• γ: 90°
• Cell volume: 2255.78 ± 0.07 ų
• Cell temperature: 150 ± 0.5 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No