Information card for entry 7013895

Structure parameters

• Formula: C14 H14 O2 Ru Si
• Calculated formula: C14 H14 O2 Ru Si
• SMILES: [Ru]1234(C#[O])(C#[O])(C#CC#C[Si](C)(C)C)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Preparation, structures and some reactions of novel diynyl complexes of iron and ruthenium.
• Authors of publication: Bruce, Michael I.; Ellis, Benjamin G.; Gaudio, Maryka; Lapinte, Claude; Melino, Giovanni; Paul, Frédéric; Skelton, Brian W.; Smith, Mark E.; Toupet, Loic; White, Allan H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 10
• Pages of publication: 1601 - 1609
• a: 6.6958 ± 0.0006 Å
• b: 16.119 ± 0.001 Å
• c: 21.291 ± 0.002 Å
• α: 82.12 ± 0.002°
• β: 88.887 ± 0.002°
• γ: 89.629 ± 0.002°
• Cell volume: 2275.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.067
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections: 1.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No