Information card for entry 7027650

Structure parameters

• Formula: C58 H42 Cl2 Co2 O6 P2 Ru
• Calculated formula: C58 H42 Cl2 Co2 O6 P2 Ru
• SMILES: [Ru]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)(C#C[C]56[Co]7([Co]5(C#[O])(C#[O])(C#[O])[C]=67c5ccccc5)(C#[O])(C#[O])C#[O])[cH]5[cH]4[cH]3[cH]2[cH]15.ClCCl
• 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: 11.831 ± 0.001 Å
• b: 14.195 ± 0.001 Å
• c: 17.632 ± 0.002 Å
• α: 95.453 ± 0.001°
• β: 104.238 ± 0.001°
• γ: 112.847 ± 0.001°
• Cell volume: 2584.1 ± 0.4 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections: 1.234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.349
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No