Information card for entry 4066123

Structure parameters

• Formula: C26 H33 N O3 Pd S
• Calculated formula: C26 H33 N O3 Pd S
• SMILES: C[Pd]1(Oc2c(C=[N]1c1c(cccc1C(C)C)C(C)C)ccc1c2c(ccc1)O)[S](C)(C)=O
• Title of publication: Synthesis of (N−O)-Ligated Palladium(II) Complexes and Their Use in Ethene Homopolymerization and Norbornene Copolymerizations
• Authors of publication: Chen, Ying; Mandal, Sukhendu; Sen, Ayusman
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 14
• Pages of publication: 3160
• a: 9.628 ± 0.003 Å
• b: 15.109 ± 0.004 Å
• c: 17.184 ± 0.005 Å
• α: 90°
• β: 95.874 ± 0.004°
• γ: 90°
• Cell volume: 2486.6 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0628
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No