Information card for entry 7030486

Structure parameters

• Formula: C20 H19 Cl4 Fe N3 Pd
• Calculated formula: C20 H19 Cl4 Fe N3 Pd
• SMILES: c1cccc2Cn3ccc([c]45[cH]6[cH]7[cH]8[cH]4[Fe]49%10%115678[cH]5[cH]4[cH]9[cH]%10[cH]%115)[n]3[Pd]([n]12)(Cl)Cl.C(Cl)Cl
• Title of publication: Ferrocenylpyrazolyl palladium complexes as catalysts for the polymerisation of 1-heptene and 1-octene to highly branched polyolefins.
• Authors of publication: Obuah, Collins; Munyaneza, Apollinaire; Guzei, Ilia A.; Darkwa, James
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 8940 - 8950
• a: 36.226 ± 0.005 Å
• b: 8.0372 ± 0.0009 Å
• c: 15.4503 ± 0.0019 Å
• α: 90°
• β: 103.443 ± 0.003°
• γ: 90°
• Cell volume: 4375.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No