Information card for entry 4065219

Structure parameters

• Formula: C54 H62 Cl4 Fe2 N2 O6 P2 Pd2 S2
• Calculated formula: C54 H62 Cl4 Fe2 N2 O6 P2 Pd2 S2
• Title of publication: o-Diarylphosphinoferrocene Sulfonate Palladium Systems for Nonalternating Ethene‒Carbon Monoxide Copolymerization
• Authors of publication: Chen, Chao; Anselment, Timo M. J.; Fröhlich, Roland; Rieger, Bernhard; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 19
• Pages of publication: 5248
• a: 12.0508 ± 0.0002 Å
• b: 11.6611 ± 0.0002 Å
• c: 24.0288 ± 0.0007 Å
• α: 90°
• β: 99.615 ± 0.001°
• γ: 90°
• Cell volume: 3329.23 ± 0.13 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 9
• 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: 0.0967
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.2232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No