Information card for entry 4065220

Structure parameters

• Formula: C29 H28 Cl2 Fe N O3 P Pd S
• Calculated formula: C29 H28 Cl2 Fe N O3 P Pd S
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[c]12[cH]5[cH]6[cH]7[c]81S(=O)(=O)O[Pd]([n]1ccccc1)(C)[P]2(c1ccccc1)c1ccccc1.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: 17.8906 ± 0.0007 Å
• b: 9.3517 ± 0.0005 Å
• c: 17.9434 ± 0.0008 Å
• α: 90°
• β: 102.814 ± 0.002°
• γ: 90°
• Cell volume: 2927.3 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No