Information card for entry 4126131

Structure parameters

• Common name: neijk63
• Formula: C90 H144 Br2 Fe Mg P2 Si2
• Calculated formula: C90 H144 Br2 Fe Mg P2 Si2
• Title of publication: Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides.
• Authors of publication: Kneebone, Jared L.; Brennessel, William W.; Neidig, Michael L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 20
• Pages of publication: 6988 - 7003
• a: 12.944 ± 0.003 Å
• b: 13.667 ± 0.003 Å
• c: 29.998 ± 0.007 Å
• α: 84.342 ± 0.005°
• β: 87.967 ± 0.005°
• γ: 63.56 ± 0.005°
• Cell volume: 4728.4 ± 1.9 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 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: 0.1211
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No