Information card for entry 7047385

Structure parameters

• Formula: C16 H16 Cl Fe N2 O2
• Calculated formula: C16 H16 Cl Fe N2 O2
• Title of publication: Stable Fe(iii) phenoxyimines as selective and robust CO₂/epoxide coupling catalysts.
• Authors of publication: Fazekas, Eszter; Nichol, Gary S.; Shaver, Michael P.; Garden, Jennifer A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 37
• Pages of publication: 13106 - 13112
• a: 12.5989 ± 0.0003 Å
• b: 7.39494 ± 0.00017 Å
• c: 17.7897 ± 0.0005 Å
• α: 90°
• β: 108.536 ± 0.003°
• γ: 90°
• Cell volume: 1571.45 ± 0.07 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No