Information card for entry 7016470

Structure parameters

• Common name: Hexacarbonyl-bis(tricyclohexylphosphine)-dicobalt
• Chemical name: Hexacarbonyl-bis(tricyclohexylphosphine)-dicobalt
• Formula: C42 H66 Co2 O6 P2
• Calculated formula: C42 H66 Co2 O6 P2
• SMILES: [P]([Co](C#[O])(C#[O])(C#[O])[Co]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])C#[O])(C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Evaluation of ligand effects in the modified cobalt hydroformylation of 1-octene. Crystal structures of [Co(L)(CO)(3)](2) (L = PA-C(5), PCy(3) and PCyp(3)).
• Authors of publication: Bungu, Peter N.; Otto, Stefanus
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 36
• Pages of publication: 9238 - 9249
• a: 14.763 ± 0.0005 Å
• b: 10.677 ± 0.0003 Å
• c: 14.88 ± 0.0004 Å
• α: 90°
• β: 119.298 ± 0.001°
• γ: 90°
• Cell volume: 2045.44 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0274
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No