Information card for entry 7251243

Structure parameters

• Common name: AA185
• Formula: C25 H43 Cl P2 Se
• Calculated formula: C25 H43 Cl P2 Se
• Title of publication: Synthesis and coordination ability of the first phosphavinyl(selenoxo)phosphorane: an electronic story
• Authors of publication: Aghion, Iulia-Andreea; Septelean, Raluca A.; Lucaci, David; Moraru, Ionut-Tudor; Soran, Albert P.; Ciocan, Catalin C.; Licarete, Emilia; Banciu, Manuela; Nemes, Gabriela
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 51
• Pages of publication: 43426 - 43435
• a: 6.6637 ± 0.0005 Å
• b: 19.2509 ± 0.0012 Å
• c: 22.2228 ± 0.0016 Å
• α: 90°
• β: 95.852 ± 0.002°
• γ: 90°
• Cell volume: 2835.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No