Information card for entry 1577038

Structure parameters

• Chemical name: DippBDIMg(THF)FpP4
• Formula: C44 H62 Fe Mg N2 O4 P4
• Calculated formula: C44 H62 Fe Mg N2 O4 P4
• 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: 18.278 ± 0.0002 Å
• b: 13.0705 ± 0.0001 Å
• c: 38.5592 ± 0.0004 Å
• α: 90°
• β: 91.837 ± 0.001°
• γ: 90°
• Cell volume: 9207.16 ± 0.16 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No