Information card for entry 7014196

Structure parameters

• Formula: C42 H30 Co2 O12 P2
• Calculated formula: C42 H30 Co2 O12 P2
• SMILES: [P]([Co](C#[O])(C#[O])(C#[O])[Co]([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)(C#[O])(C#[O])C#[O])(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
• Title of publication: Synthesis, crystal structure and hydroformylation activity of triphenylphosphite modified cobalt catalysts.
• Authors of publication: Haumann, Marco; Meijboom, Reinout; Moss, John R.; Roodt, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 11
• Pages of publication: 1679 - 1686
• a: 9.3422 ± 0.0002 Å
• b: 11.0745 ± 0.0002 Å
• c: 12.0715 ± 0.0002 Å
• α: 63.743 ± 0.001°
• β: 89.642 ± 0.001°
• γ: 65.776 ± 0.001°
• Cell volume: 997.7 ± 0.04 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No