Information card for entry 7003798

Structure parameters

• Formula: C36 H40 Cl2 O7 P2 Pd
• Calculated formula: C36 H40 Cl2 O7 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](c2ccccc2OC)(c2ccccc2OC)[C@H]2[C@H](O[C@@H]3OC(O[C@H]23)(C)C)C[P]1(c1ccccc1OC)c1ccccc1OC
• Title of publication: Synthesis of palladium(ii) complexes containing a new α-d-xylofuranose-modified diphosphine and their application as catalyst precursors in the co- and terpolymerization of CO‒ethene and propene
• Authors of publication: Muñoz-Moreno, Bianca K.; Claver, Carmen; Ruiz, Aurora; Bianchini, Claudio; Meli, Andrea; Oberhauser, Werner
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 20
• Pages of publication: 2741 - 2750
• a: 11.395 ± 0.005 Å
• b: 17.986 ± 0.005 Å
• c: 20.001 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4099 ± 2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• 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: 0.0574
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No