Information card for entry 1577036

Structure parameters

• Chemical name: DippBDIMgFp*
• Formula: C85.5 H116 Fe2 Mg2 N4 O4
• Calculated formula: C85.5 H116 Fe2 Mg2 N4 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: 18.76217 ± 0.00005 Å
• b: 20.24982 ± 0.00007 Å
• c: 21.68721 ± 0.00006 Å
• α: 90°
• β: 90.2799 ± 0.0003°
• γ: 90°
• Cell volume: 8239.54 ± 0.04 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0306
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No