Information card for entry 7047387

Structure parameters

• Formula: C55 H72 Cl2 Fe2 N4 O4
• Calculated formula: C55 H72 Cl2 Fe2 N4 O4
• 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: 10.8856 ± 0.0003 Å
• b: 24.3385 ± 0.0007 Å
• c: 19.8618 ± 0.0006 Å
• α: 90°
• β: 91.003 ± 0.003°
• γ: 90°
• Cell volume: 5261.4 ± 0.3 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.1282
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2401
• Weighted residual factors for all reflections included in the refinement: 0.2617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No