Information card for entry 7002230

Structure parameters

• Formula: C68 H64 Cl2 O6 P2 Pd2
• Calculated formula: C68 H64 Cl2 O6 P2 Pd2
• SMILES: c12ccc3ccccc3c2c2c3ccccc3ccc2O[P]2(O1)[Pd]1(c3cc(cc(c3O2)C(C)(C)C)C(C)(C)C)[Cl][Pd]2([P]3(Oc4ccc5ccccc5c4c4c5ccccc5ccc4O3)Oc3c2cc(cc3C(C)(C)C)C(C)(C)C)[Cl]1
• Title of publication: Chiral triaryl phosphite-based palladacycles and platinacycles: synthesis and application to asymmetric Lewis acid catalysis
• Authors of publication: Bedford, Robin B.; Dumycz, Helena; Haddow, Mairi F.; Pilarski, Lukasz T.; Orpen, A. Guy; Pringle, Paul G.; Wingad, Richard L.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 37
• Pages of publication: 7796 - 7804
• a: 17.694 ± 0.004 Å
• b: 10.29 ± 0.002 Å
• c: 17.527 ± 0.004 Å
• α: 90°
• β: 108.22 ± 0.003°
• γ: 90°
• Cell volume: 3031.2 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1599
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No