Information card for entry 7013896

Structure parameters

• Formula: C53 H56 P2 Ru Si
• Calculated formula: C53 H56 P2 Ru Si
• SMILES: [Ru]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)(C#CC#C[Si](C)(C)C)[cH]5[cH]1[cH]2[cH]3[cH]45.CCCCC
• 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: 11.1851 ± 0.0008 Å
• b: 17.171 ± 0.001 Å
• c: 24.241 ± 0.002 Å
• α: 90°
• β: 95.572 ± 0.002°
• γ: 90°
• Cell volume: 4633.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.094
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections: 0.954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No