Information card for entry 1577042

Structure parameters

• Chemical name: DippBDIMg(DME)Fp*
• Formula: C45 H66 Fe Mg N2 O4
• Calculated formula: C45 H66 Fe Mg N2 O4
• 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: 9.0732 ± 0.0001 Å
• b: 12.951 ± 0.0002 Å
• c: 19.3861 ± 0.0002 Å
• α: 97.221 ± 0.001°
• β: 91.171 ± 0.001°
• γ: 107.411 ± 0.001°
• Cell volume: 2152.33 ± 0.05 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: 0.0363
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No