Information card for entry 7006256

Structure parameters

• Formula: C32 H36 O10 P2 Pd S2
• Calculated formula: C32 H36 O10 P2 Pd S2
• SMILES: [Pd]12([P](c3ccccc3OC)(c3ccccc3OC)CCS(=O)(=O)O1)[P](c1ccccc1OC)(c1ccccc1OC)CCS(=O)(=O)O2
• Title of publication: Ligand effects in the non-alternating CO-ethylene copolymerization by palladium(II) catalysis.
• Authors of publication: Bettucci, Lorenzo; Bianchini, Claudio; Claver, Carmen; Suarez, Eduardo J Garcia; Ruiz, Aurora; Meli, Andrea; Oberhauser, Werner
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 47
• Pages of publication: 5590 - 5602
• a: 9.403 ± 0.005 Å
• b: 19.844 ± 0.005 Å
• c: 10.566 ± 0.005 Å
• α: 90 ± 0.005°
• β: 114.647 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1791.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No