Information card for entry 1542956

Structure parameters

• Formula: C30.5 H45 Cl Fe N2 O2.5
• Calculated formula: C30.5 H45 Cl Fe N2 O2.5
• Title of publication: Iron amino-bis(phenolate) complexes for the formation of organic carbonates from CO2and oxiranes
• Authors of publication: Alhashmialameer, Dalal; Collins, Julie; Hattenhauer, Karen; Kerton, Francesca M.
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 14
• Pages of publication: 5364
• a: 27.898 ± 0.009 Å
• b: 9.683 ± 0.003 Å
• c: 23.472 ± 0.008 Å
• α: 90°
• β: 110.032 ± 0.004°
• γ: 90°
• Cell volume: 5957 ± 3 ų
• Cell temperature: 168 K
• Ambient diffraction temperature: 168 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No