Information card for entry 7721117

Structure parameters

• Formula: C32 H18 Br2 Fe O4
• Calculated formula: C32 H18 Br2 Fe O4
• Title of publication: Tuning the Tetraarylcyclopentadienones from iron tricarbonyl complexes: effects in Transfer Hydrogenation and solubility
• Authors of publication: Zingales, Esteban; Huertos, Miguel Angel; Sanchez-Cano, Carlos
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 16.6165 ± 0.0003 Å
• b: 9.8865 ± 0.0002 Å
• c: 33.4534 ± 0.0007 Å
• α: 90°
• β: 98.428 ± 0.002°
• γ: 90°
• Cell volume: 5436.34 ± 0.19 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No