Information card for entry 7701053

Structure parameters

• Formula: C38 H59 Fe N2 O4
• Calculated formula: C38 H59 Fe N2 O4
• Title of publication: The synthesis, characterisation and application of iron(iii)-acetate complexes for cyclic carbonate formation and the polymerisation of lactide.
• Authors of publication: Driscoll, Oliver J.; Hafford-Tear, Claudia H; McKeown, Paul; Stewart, Jack A.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Jones, Matthew D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 40
• Pages of publication: 15049 - 15058
• a: 15.4565 ± 0.0007 Å
• b: 16.0514 ± 0.0008 Å
• c: 17.3452 ± 0.0008 Å
• α: 86.551 ± 0.004°
• β: 86.834 ± 0.004°
• γ: 76.058 ± 0.004°
• Cell volume: 4165.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1181
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No