Information card for entry 4128291

Structure parameters

• Common name: neipn21
• Formula: C61 H92 Br0.6 Cl0.4 Fe Mg N5 O5
• Calculated formula: C61 H92 Br0.598 Cl0.402 Fe Mg N5 O5
• Title of publication: Mechanism of the Bis(imino)pyridine-Iron-Catalyzed Hydromagnesiation of Styrene Derivatives.
• Authors of publication: Neate, Peter G. N.; Greenhalgh, Mark D.; Brennessel, William W.; Thomas, Stephen P.; Neidig, Michael L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 25
• Pages of publication: 10099 - 10108
• a: 22.6754 ± 0.0005 Å
• b: 12.315 ± 0.0007 Å
• c: 24.0776 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6723.6 ± 0.5 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.2054
• Weighted residual factors for all reflections included in the refinement: 0.2282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No