Information card for entry 7009561

Structure parameters

• Formula: C56 H73 O2 P Ru Si2
• Calculated formula: C56 H73 O2 P Ru Si2
• SMILES: [Ru]123456([P](c7ccccc7)(c7ccccc7)c7ccccc7)([CH](C(=O)OC)=[C]1(/C=C/[Si](C)(C)C)C2=C(c1ccccc1)C#C[Si](C)(C)C)[c]1(C)[c]3([c]4(C)[c]5([c]61C)C)C.CCCCCC
• Title of publication: Oligomerisation of alkynes at a pentamethylcyclopentadienylruthenium centre †
• Authors of publication: Bruce, Michael I.; Hall, Ben C.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 2279
• a: 10.9167 ± 0.0008 Å
• b: 16.7444 ± 0.0011 Å
• c: 16.9819 ± 0.0012 Å
• α: 63.452 ± 0.001°
• β: 78.627 ± 0.001°
• γ: 84.008 ± 0.001°
• Cell volume: 2721.9 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections: 1.259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.421
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No