Information card for entry 7008163

Structure parameters

• Formula: C22 H37 Cl3 Co N O3 P
• Calculated formula: C22 H37 Cl3 Co N O3 P
• SMILES: [Co](Cl)(Cl)(Cl)[P]1(c2ccccc2)[C@@]2(O[C@]3(O[C@](O[C@@]1(C3)C)(C2)C)C)C.[NH+](CC)(CC)CC.[Co](Cl)(Cl)(Cl)[P]1(c2ccccc2)[C@]2(O[C@@]3(O[C@@](O[C@]1(C3)C)(C2)C)C)C.[NH+](CC)(CC)CC
• Title of publication: Phenylphosphatrioxa-adamantanes: bulky, robust, electron-poor ligands that give very efficient rhodium(I) hydroformylation catalysts.
• Authors of publication: Baber, R. Angharad; Clarke, Matthew L.; Heslop, Katie M.; Marr, Andrew C.; Orpen, A. Guy; Pringle, Paul G.; Ward, Andrew; Zambrano-Williams, Damaris E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 6
• Pages of publication: 1079 - 1085
• a: 17.914 ± 0.003 Å
• b: 11.206 ± 0.002 Å
• c: 13.4602 ± 0.0019 Å
• α: 90°
• β: 98.157 ± 0.011°
• γ: 90°
• Cell volume: 2674.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No