Information card for entry 7009563

Structure parameters

• Formula: C52 H47 P Ru
• Calculated formula: C52 H47 P Ru
• SMILES: [Ru]123456(C([CH]2=[CH]1c1ccccc1)=C(c1ccccc1)C#Cc1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]3(C)[c]4([c]5(C)[c]61C)C)C
• 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: 10.386 ± 0.004 Å
• b: 20.927 ± 0.006 Å
• c: 37.598 ± 0.014 Å
• α: 90°
• β: 90.31 ± 0.03°
• γ: 90°
• Cell volume: 8172 ± 5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.052
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections: 1.689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.689
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No