Information card for entry 4064579

Structure parameters

• Formula: C74 H62 B Cl4 Cu F4 Fe8 O8 P2
• Calculated formula: C74 H62 B Cl4 Cu F4 Fe8 O8 P2
• Title of publication: Tetrairon Cluster Cp3Fe4(CO)4(C5H4PPh2) as a P‒O Chelating Agent to Bind Palladium(II) and Copper(I) Ions through Phosphine and μ3-Carbonyl Groups
• Authors of publication: Dai, Huei-Fang; Yeh, Wen-Yann
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 15
• Pages of publication: 3992
• a: 13.4281 ± 0.0001 Å
• b: 14.5572 ± 0.0001 Å
• c: 19.3485 ± 0.0002 Å
• α: 97.98 ± 0.01°
• β: 99.06 ± 0.02°
• γ: 108.45 ± 0.01°
• Cell volume: 3470.4 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No