Information card for entry 1577040

Structure parameters

• Chemical name: MesBDIMg(THF)Fp
• Formula: C34 H42 Fe Mg N2 O3
• Calculated formula: C34 H42 Fe Mg N2 O3
• Title of publication: Selective White Phosphorus Activation and Functionalization with Inorganic Grignard Reagents
• Authors of publication: Gilch, Franziska; Brossette, Jan; Westermair, Franz F.; Silva, Wagner; Balázs, Gábor; Gschwind, Ruth M.; Zipse, Hendrik; Wolf, Robert
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 8.7769 ± 0.0001 Å
• b: 10.5371 ± 0.0002 Å
• c: 17.7916 ± 0.0002 Å
• α: 106.334 ± 0.001°
• β: 92.784 ± 0.001°
• γ: 99.671 ± 0.001°
• Cell volume: 1548.57 ± 0.04 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No