Information card for entry 4065221

Structure parameters

• Formula: C30 H30 Fe N O5 P Pd S
• Calculated formula: C30 H30 Fe N O5 P Pd S
• SMILES: [Pd]1([P]([c]23[Fe]456789%10([cH]%11[cH]7[cH]6[cH]5[cH]4%11)[c]2(S(=O)(=O)O1)[cH]8[cH]9[cH]3%10)(c1c(cccc1)OC)c1c(cccc1)OC)(C)[n]1ccccc1
• 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: 14.5221 ± 0.0002 Å
• b: 10.9631 ± 0.0002 Å
• c: 18.2341 ± 0.0003 Å
• α: 90°
• β: 97.508 ± 0.001°
• γ: 90°
• Cell volume: 2878.11 ± 0.08 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• 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: 0.0413
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No