Information card for entry 7030489

Structure parameters

• Formula: C20 H21 Fe N3
• Calculated formula: C20 H19 Fe N3
• SMILES: [cH]12[cH]3[cH]4[c]5([cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)c1cc(C)n(Cc2ccccn2)n1
• 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: 10.4116 ± 0.0008 Å
• b: 14.0672 ± 0.001 Å
• c: 10.8334 ± 0.0008 Å
• α: 90°
• β: 91.106 ± 0.002°
• γ: 90°
• Cell volume: 1586.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• 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: 0.0357
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0881
• 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