Information card for entry 4023598

Structure parameters

• Formula: C35 H37 Co2 N O8 Si
• Calculated formula: C35 H37 Co2 N O8 Si
• SMILES: [Co]1234([Co]56(C#[O])(C#[O])(C1=O)[C]2(c1ccccc1)=[CH]3C4([Si](C)(C)C)C5(=[CH]6C(=O)N1C(=O)OC[C@@H]1c1ccccc1)CCCCCC)(C#[O])C#[O]
• Title of publication: Co-Complexes Derived from Alkene Insertion to Alkyne-Dicobaltpentacarbonyl Complexes: Insight into the Regioselectivity of Pauson-Khand Reactions of Cyclopropenes
• Authors of publication: Mahesh K. Pallerla; Glenn P. A. Yap; Joseph M. Fox
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 6137 - 6141
• a: 7.7416 ± 0.0016 Å
• b: 19.858 ± 0.004 Å
• c: 22.881 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3517.6 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0794
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No