Information card for entry 1576673

Structure parameters

• Formula: C90 H115 Li O
• Calculated formula: C90 H115 Li O
• 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: 12.50871 ± 0.00007 Å
• b: 29.33042 ± 0.00012 Å
• c: 20.62954 ± 0.00009 Å
• α: 90°
• β: 93.8228 ± 0.0005°
• γ: 90°
• Cell volume: 7551.84 ± 0.06 ų
• Cell temperature: 99.95 ± 0.18 K
• Ambient diffraction temperature: 99.95 ± 0.18 K
• Number of distinct elements: 4
• 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: 0.0671
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No