Information card for entry 7111275

Structure parameters

• Formula: C31 H47 P Ru Si
• Calculated formula: C31 H47 P Ru Si
• SMILES: [Ru]12345678(P9[C]4([Si](C(C)C)(C(C)C)C(C)C)=[C]3([C]2(=[C]19c1ccccc1)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: Synthesis of 2-silyl substituted phospharuthenocenes and an elaboration into the first phospharuthenocene-phosphine
• Authors of publication: Carmichael, Duncan; Mathey, François; Ricard, Louis; Seeboth, Nicolas
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 2976 - 2977
• a: 8.939 ± 0.001 Å
• b: 42.464 ± 0.001 Å
• c: 8.166 ± 0.001 Å
• α: 90°
• β: 110.07 ± 0.001°
• γ: 90°
• Cell volume: 2911.5 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.0421
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No