Information card for entry 7712205

Structure parameters

• Formula: C53 H39 F2 Fe4 O6
• Calculated formula: C53 H39 F2 Fe4 O6
• Title of publication: Synthesis of (μ²,η³-allyl-η⁵-oxapentadienyl)diiron pentacarbonyl complexes, an unusual reaction product from η⁴-(vinylketene)Fe(CO)₃ complexes: structure and electron density distribution analysis.
• Authors of publication: Resendiz-Lara, Diego A; Rosas-Sánchez, Alfredo; Hashizume, Daisuke; Barquera-Lozada, José E; Toscano, R. Alfredo; López-Cortés, José G; Ortega-Alfaro, M Carmen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2722 - 2734
• a: 18.2892 ± 0.0003 Å
• b: 24.9311 ± 0.0005 Å
• c: 10.3706 ± 0.0002 Å
• α: 90°
• β: 106.447 ± 0.0007°
• γ: 90°
• Cell volume: 4535.2 ± 0.15 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No