Information card for entry 7712202

Structure parameters

• Formula: C24 H18 Fe2 O4
• Calculated formula: C24 H18 Fe2 O4
• 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: 16.2932 ± 0.0008 Å
• b: 11.1212 ± 0.0006 Å
• c: 13.2838 ± 0.0007 Å
• α: 90°
• β: 108.853 ± 0.001°
• γ: 90°
• Cell volume: 2277.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0829
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No