Information card for entry 1576682

Structure parameters

• Formula: C78 H105 P
• Calculated formula: C78 H105 P
• 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: 12.46887 ± 0.00005 Å
• b: 26.12266 ± 0.0001 Å
• c: 20.84307 ± 0.00009 Å
• α: 90°
• β: 102.064 ± 0.0004°
• γ: 90°
• Cell volume: 6639.07 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No