Information card for entry 4126129

Structure parameters

• Common name: neijk47
• Formula: C99.62 H162.25 Br Fe Mg O0.38 P2 Si3
• Calculated formula: C99.623 H162.246 Br Fe Mg O0.377 P2 Si3
• 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: 16.1139 ± 0.0017 Å
• b: 27.702 ± 0.003 Å
• c: 22.922 ± 0.002 Å
• α: 90°
• β: 90.854 ± 0.002°
• γ: 90°
• Cell volume: 10231 ± 1.8 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 8
• 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: 0.081
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No