Information card for entry 4065217

Structure parameters

• Formula: C25.5 H24 Cl Fe O3 P Pd S
• Calculated formula: C25.5 H24 Cl Fe O3 P Pd S
• SMILES: [Pd]123([P]([c]45[cH]6[Fe]789%10%11%124([c]5(S(O1)(=O)=O)[cH]8[cH]67)[cH]1[cH]%12[cH]%11[cH]%10[cH]91)(c1ccccc1)c1ccccc1)C[CH]2=[CH2]3.C(Cl)Cl
• 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: 10.9418 ± 0.0002 Å
• b: 14.3677 ± 0.0002 Å
• c: 16.6363 ± 0.0003 Å
• α: 90.136 ± 0.001°
• β: 94.013 ± 0.001°
• γ: 108.473 ± 0.001°
• Cell volume: 2473.69 ± 0.07 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No