Information card for entry 7013583

Structure parameters

• Formula: C62 H110 Co2 O6 P2
• Calculated formula: C62 H110 Co2 O6 P2
• SMILES: [Co]([Co](C#[O])(C#[O])(C#[O])[P@]1([C@H]2[C@H](CC[C@@H]([C@@H](C1)C)C2)C)CCCCCCCCCCCCCCCCCC)(C#[O])(C#[O])(C#[O])[P@]1([C@H]2[C@H](CC[C@@H]([C@@H](C1)C)C2)C)CCCCCCCCCCCCCCCCCC
• Title of publication: Limonene-derived phosphines in the cobalt-catalysed hydroformylation of alkenes
• Authors of publication: Polas, Anastasios; Wilton-Ely, James D. E. T.; Slawin, Alexandra M. Z.; Foster, Douglas F.; Steynberg, Petrus J.; Green, Michael J.; Cole-Hamilton, David J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 4669
• a: 8.8894 ± 0.0003 Å
• b: 12.661 ± 0.0003 Å
• c: 60.1359 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6768.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1989
• Residual factor for significantly intense reflections: 0.1046
• Weighted residual factors for significantly intense reflections: 0.2785
• Weighted residual factors for all reflections included in the refinement: 0.3391
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No