Information card for entry 7008162

Structure parameters

• Formula: C40 H58 Cl2 O6 P2 Pd
• Calculated formula: C40 H58 Cl2 O6 P2 Pd
• SMILES: [Pd]([P]1(c2ccccc2)[C@@]2(O[C@]3(O[C@](O[C@]1(CC)C3)(C2)CC)CC)CC)([P]1(c2ccccc2)[C@]2(O[C@@]3(O[C@@](O[C@@]1(CC)C3)(C2)CC)CC)CC)(Cl)Cl
• 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: 8.6852 ± 0.0013 Å
• b: 9.8884 ± 0.0014 Å
• c: 11.9403 ± 0.0017 Å
• α: 96.531 ± 0.002°
• β: 98.137 ± 0.002°
• γ: 94.415 ± 0.002°
• Cell volume: 1004 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No