Information card for entry 7025722

Structure parameters

• Formula: C46 H25 Co3 O17 Os3 P2
• Calculated formula: C46 H25 Co3 O17 Os3 P2
• SMILES: [Os]1234([Os]56([Os]1(C#[O])(C#[O])(C#[O])(C25C#CC(=O)C12[Co]57([Co]1([Co]25(C#[O])(C#[O])C#[O])(C#[O])(C#[O])[P](C[P]7(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])([H]6)[H]3)(C#[O])(C#[O])(C#[O])[H]4)(C#[O])(C#[O])C#[O]
• Title of publication: Conversion of C[triple bond]C to CO in alkynyl-metal complexes: oxidation of carbon chains capped by carbon-tricobalt clusters.
• Authors of publication: Bruce, Michael I.; Humphrey, Paul A.; Zaitseva, Natasha N.; Nicholson, Brian K.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 37
• Pages of publication: 8801 - 8811
• a: 42.439 ± 0.009 Å
• b: 11.25 ± 0.002 Å
• c: 21.854 ± 0.005 Å
• α: 90°
• β: 108.74 ± 0.003°
• γ: 90°
• Cell volume: 9881 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1136
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No