Information card for entry 4023666

Structure parameters

• Formula: C33 H38 Cl2 Co2 N O5 P S Si
• Calculated formula: C33 H38 Cl2 Co2 N O5 P S Si
• SMILES: [Co]123([S](=O)(N([P]([Co]42([CH]1=[C]34[Si](C)(C)C)(C#[O])C#[O])(c1ccccc1)c1ccccc1)CC(C)C)c1ccc(cc1)C)(C#[O])C#[O].ClCCl
• Title of publication: N-Phosphino-p-tolylsulfinamide Ligands: Synthesis, Stability, and Application to the Intermolecular Pauson-Khand Reaction
• Authors of publication: Marc Revés; Thierry Achard; Jordi Solà; Antoni Riera; Xavier Verdaguer
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 7080 - 7087
• a: 13.3622 ± 0.0019 Å
• b: 14.349 ± 0.002 Å
• c: 19.593 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3756.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0417
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No