Information card for entry 1577048

Structure parameters

• Chemical name: [{Cp*Fe(CO)2}2(Ar2Sn2P8)]
• Formula: C84 H104 Fe2 O4 P8 Sn2
• Calculated formula: C84 H104 Fe2 O4 P8 Sn2
• 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: 14.0281 ± 0.0001 Å
• b: 42.0245 ± 0.0001 Å
• c: 15.3508 ± 0.0001 Å
• α: 90°
• β: 113.64 ± 0.001°
• γ: 90°
• Cell volume: 8290.24 ± 0.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No