Information card for entry 7110653

Structure parameters

• Formula: C51 H77 B O P4 Ru S
• Calculated formula: C51 H77 B O P4 Ru S
• Title of publication: Regioselective 1,2-insertion of Ru into the C‒S bond in 3-substituted thiophenes
• Authors of publication: Planas, Jose Giner; Hirano, Masafumi; Komiya, Sanshiro
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 18
• Pages of publication: 1793
• a: 11.485 ± 0.005 Å
• b: 24.678 ± 0.005 Å
• c: 18.369 ± 0.004 Å
• α: 90°
• β: 95.22 ± 0.03°
• γ: 90°
• Cell volume: 5185 ± 3 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 7
• 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: 0.07
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.98
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No