Information card for entry 7027656

Structure parameters

• Formula: C74 H58 Co2 O4 P4 Ru
• Calculated formula: C74 H58 Co2 O4 P4 Ru
• SMILES: [Ru]1234(C#C[C]56[Co]78([Co]5(C#[O])(C#[O])([CH]=67)[P](C[P]8(c5ccccc5)c5ccccc5)(c5ccccc5)c5ccccc5)(C#[O])C#[O])([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[cH]3[cH]45
• 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: 17.474 ± 0.003 Å
• b: 17.164 ± 0.003 Å
• c: 22.453 ± 0.004 Å
• α: 90°
• β: 111.223 ± 0.005°
• γ: 90°
• Cell volume: 6277.5 ± 1.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.285
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for all reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.511
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No