Information card for entry 4069556

Structure parameters

• Formula: C15.5 H19 Br2 Fe N5 O0.5
• Calculated formula: C15.5 H18.5 Br2 Fe N5 O0.5
• 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: 7.997 ± 0.002 Å
• b: 13.336 ± 0.004 Å
• c: 17.919 ± 0.005 Å
• α: 90°
• β: 98.658 ± 0.008°
• γ: 90°
• Cell volume: 1889.2 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No