Information card for entry 4129466

Structure parameters

• Common name: neibs06
• Formula: C74.75 H101.66 Fe O0.25 P2
• Calculated formula: C74.75 H101.66 Fe O0.25 P2
• Title of publication: Iron(II) Active Species in Iron-Bisphosphine Catalyzed Kumada and Suzuki-Miyaura Cross-Couplings of Phenyl Nucleophiles and Secondary Alkyl Halides.
• Authors of publication: Daifuku, Stephanie L.; Kneebone, Jared L.; Snyder, Benjamin E. R.; Neidig, Michael L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 35
• Pages of publication: 11432 - 11444
• a: 14.922 ± 0.003 Å
• b: 21.309 ± 0.004 Å
• c: 22.714 ± 0.004 Å
• α: 77.487 ± 0.003°
• β: 80.874 ± 0.003°
• γ: 71.734 ± 0.003°
• Cell volume: 6663 ± 2 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2742
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.2103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No