Information card for entry 4069555

Structure parameters

• Formula: C26 H25 Br2 Fe N3 S
• Calculated formula: C26 H24 Br2 Fe N3 S
• Title of publication: Ethylene Oligomerization Using First-Row Transition Metal Complexes Featuring Heterocyclic Variants of Bis(imino)pyridine Ligands
• Authors of publication: Tenza, Kenny; Hanton, Martin J.; Slawin, Alexandra M. Z.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 4852
• a: 15.844 ± 0.003 Å
• b: 8.5836 ± 0.0017 Å
• c: 18.715 ± 0.004 Å
• α: 90°
• β: 94.205 ± 0.004°
• γ: 90°
• Cell volume: 2538.4 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No