Information card for entry 7059442

Structure parameters

• Formula: C35 H52 Cl2 Fe N O4 S
• Calculated formula: C35 H52 Cl2 Fe N O4 S
• Title of publication: Salalen vs. thiolen: in the ring(-opening of epoxide and cyclic carbonate formation)
• Authors of publication: Driscoll, Oliver J.; Stewart, Jack A.; McKeown, Paul; Jones, Matthew D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 15
• Pages of publication: 6063 - 6067
• a: 14.777 ± 0.004 Å
• b: 14.448 ± 0.007 Å
• c: 18.99 ± 0.003 Å
• α: 90°
• β: 112.01 ± 0.02°
• γ: 90°
• Cell volume: 3759 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.1263
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No