Information card for entry 7009565

Structure parameters

• Formula: C42.5 H45 O2 P Ru
• Calculated formula: C42.5 H45 O2 P Ru
• 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: 38.14 ± 0.02 Å
• b: 9.478 ± 0.004 Å
• c: 21.88 ± 0.03 Å
• α: 90°
• β: 109.66 ± 0.07°
• γ: 90°
• Cell volume: 7448 ± 12 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.18
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections: 1.198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.271
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No