Information card for entry 7008161

Structure parameters

• Formula: C34 H46 Cl6 O6 P2 Pd
• Calculated formula: C34 H46 Cl6 O6 P2 Pd
• SMILES: C(Cl)Cl.Cl[Pd]([P]1(c2ccccc2)[C@]2(C[C@]3(O[C@@]1(C[C@](O3)(O2)C)C)C)C)([P]1(c2ccccc2)[C@@]2(C[C@@]3(O[C@]1(C[C@@](O3)(O2)C)C)C)C)Cl.C(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: 7.6097 ± 0.0015 Å
• b: 10.758 ± 0.002 Å
• c: 12.984 ± 0.003 Å
• α: 90.03 ± 0.03°
• β: 103.56 ± 0.03°
• γ: 108.26 ± 0.03°
• Cell volume: 978.1 ± 0.4 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: 0.0409
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No