Information card for entry 1576674

Structure parameters

• Formula: C80 H109 I O2 P2
• Calculated formula: C80 H109 I0.7016 O2 P2
• Title of publication: Isolation of arylhalodiphosphenes: periodic trends in R–PP–X bonding (X = Cl, Br, I)
• Authors of publication: Wenger, John S.; Gaschik, Nina; Rowe, William J.; Crumpton, Agamemnon E.; van IJzendoorn, Bono; Mehta, Meera
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 17.634 ± 0.0001 Å
• b: 17.634 ± 0.0001 Å
• c: 11.5188 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3581.86 ± 0.04 ų
• Cell temperature: 99.9 ± 0.4 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No