Information card for entry 7027657

Structure parameters

• Formula: C92 H78 Cl8 P4 Ru2
• Calculated formula: C92 H78 Cl8 P4 Ru2
• Title of publication: An efficient synthesis of polyynyl and polyynediyl complexes of ruthenium(II) †
• Authors of publication: Bruce, Michael I.; Hall, Ben C.; Kelly, Brian D.; Low, Paul J.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 21
• Pages of publication: 3719
• a: 12.408 ± 0.001 Å
• b: 15.398 ± 0.002 Å
• c: 21.246 ± 0.003 Å
• α: 90°
• β: 97.833 ± 0.002°
• γ: 90°
• Cell volume: 4021.4 ± 0.8 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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: 0.122
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections: 1.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.256
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No