Information card for entry 4060028

Structure parameters

• Formula: C24 H19 Br2 Cl2 F6 Fe N3
• Calculated formula: C24 H19 Br2 Cl2 F6 Fe N3
• Title of publication: Selective Dimerization/Oligomerization of α-Olefins by Cobalt Bis(imino)pyridine Catalysts Stabilized by Trifluoromethyl Substituents: Group 9 Metal Catalysts with Productivities Matching Those of Iron Systems
• Authors of publication: Kilian P. Tellmann; Vernon C. Gibson; Andrew J. P. White; David J. Williams
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Pages of publication: 280 - 286
• a: 10.0756 ± 0.0006 Å
• b: 11.2235 ± 0.0003 Å
• c: 13.7022 ± 0.0006 Å
• α: 87.189 ± 0.003°
• β: 71.191 ± 0.004°
• γ: 81.496 ± 0.004°
• Cell volume: 1450.62 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No