Information card for entry 7013897

Structure parameters

• Formula: C43 H48 P2 Ru Si
• Calculated formula: C43 H48 P2 Ru Si
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)CC[P]1(c1ccccc1)c1ccccc1)(C#CC#C[Si](C)(C)C)[c]1(C)[c]2([c]3(C)[c]4([c]51C)C)C
• 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: 15.6527 ± 0.0008 Å
• b: 13.9997 ± 0.0007 Å
• c: 18.9093 ± 0.0009 Å
• α: 90°
• β: 110.977 ± 0.001°
• γ: 90°
• Cell volume: 3869 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.034
• Goodness-of-fit parameter for all reflections: 0.967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No