Information card for entry 7014197

Structure parameters

• Formula: C38 H30 Co O8 P2
• Calculated formula: C38 H31 Co O8 P2
• SMILES: [CoH]([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)(C#[O])C#[O]
• 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: 9.8233 ± 0.0005 Å
• b: 10.6474 ± 0.0006 Å
• c: 18.5277 ± 0.0011 Å
• α: 80.813 ± 0.004°
• β: 81.284 ± 0.004°
• γ: 64.028 ± 0.004°
• Cell volume: 1712.52 ± 0.18 ų
• Cell temperature: 201 ± 2 K
• Ambient diffraction temperature: 201 ± 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: 0.1147
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No