Information card for entry 4072505

Structure parameters

• Formula: C23 H22 O5 P Pd S
• Calculated formula: C23 H22 O5 P Pd S
• SMILES: [Pd]123([P](c4c(OC)cccc4)(c4c(S(O1)(=O)=O)cccc4)c1c(OC)cccc1)[CH](C3)=[CH2]2
• Title of publication: Synthesis of Palladium Complexes with an Anionic P∼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 - 216
• a: 10.8667 ± 0.0011 Å
• b: 17.0383 ± 0.0018 Å
• c: 11.808 ± 0.0013 Å
• α: 90°
• β: 95.365 ± 0.002°
• γ: 90°
• Cell volume: 2176.7 ± 0.4 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No