Information card for entry 4072504

Structure parameters

• Formula: C23 H25 Cl2 O7 P S
• Calculated formula: C23 H25 Cl2 O7 P S
• SMILES: S(=O)(=O)([O-])c1ccccc1[PH+](c1c(OC)cccc1OC)c1c(OC)cccc1OC.ClCCl
• Title of publication: Synthesis of Palladium Complexes with an Anionic Pσim O Chelate and Their Use in Copolymerization of Ethene with Functionalized Norbornene Derivatives: Unusual Functionality Tolerance
• Authors of publication: Liu, Shengsheng; Borkar, Sachin; Newsham, David; Yennawar, Hemant; Sen, Ayusman
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 210
• a: 13.979 ± 0.002 Å
• b: 11.9196 ± 0.0017 Å
• c: 15.071 ± 0.002 Å
• α: 90°
• β: 99.7 ± 0.002°
• γ: 90°
• Cell volume: 2475.3 ± 0.6 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No