Information card for entry 4085528

Structure parameters

• Formula: C92 H74 Cl4 P4 Ru2
• Calculated formula: C92 H74 Cl4 P4 Ru2
• Title of publication: Syntheses and Structures of Buta-1,3-Diynyl Complexes from “on Complex” Cross-Coupling Reactions
• Authors of publication: Oerthel, Marie-Christine; Yufit, Dmitry S.; Fox, Mark A.; Bryce, Martin R.; Low, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2395
• a: 8.8692 ± 0.0004 Å
• b: 12.6858 ± 0.0005 Å
• c: 17.6885 ± 0.0007 Å
• α: 90.247 ± 0.018°
• β: 96.49 ± 0.017°
• γ: 106.425 ± 0.017°
• Cell volume: 1895.4 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1373
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No