Information card for entry 7030487

Structure parameters

• Formula: C16 H16 Fe N2 O2
• Calculated formula: C16 H16 Fe N2 O2
• 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: 29.4156 ± 0.0008 Å
• b: 11.9238 ± 0.0003 Å
• c: 21.4772 ± 0.0005 Å
• α: 90°
• β: 129.709 ± 0.0013°
• γ: 90°
• Cell volume: 5795.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0732
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No