Information card for entry 7135854

Structure parameters

• Formula: C87 H111 Cl3 N6 O12 Ru3
• Calculated formula: C87 H111 Cl3 N6 O12 Ru3
• Title of publication: Ruthenium-Mediated Phospha-Buchner Ring Expansion: Phosphorus Insertion into a Pendant Arene
• Authors of publication: Zhaoyang, Li; Gao, Ren; Zhang, Shaoguang
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 20.3926 ± 0.0002 Å
• b: 14.9242 ± 0.0001 Å
• c: 55.1682 ± 0.0006 Å
• α: 90°
• β: 90.173 ± 0.001°
• γ: 90°
• Cell volume: 16790 ± 0.3 ų
• Cell temperature: 99.9 ± 0.4 K
• Ambient diffraction temperature: 99.9 ± 0.4 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No