Information card for entry 4074064

Structure parameters

• Formula: C29 H32 N O3 P Pd S
• Calculated formula: C29 H32 N O3 P Pd S
• SMILES: C[Pd]1([n]2ccccc2)OS(=O)(=O)c2ccc(C)cc2[P]1(c1ccccc1CC)c1ccccc1CC
• Title of publication: Ethylene Polymerization by Palladium Alkyl Complexes Containing Bis(aryl)phosphino-toluenesulfonate Ligands
• Authors of publication: Vela, Javier; Lief, Graham R.; Shen, Zhongliang; Jordan, Richard F.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 26
• Pages of publication: 6624
• a: 10.249 ± 0.002 Å
• b: 22.544 ± 0.004 Å
• c: 14.59 ± 0.005 Å
• α: 90°
• β: 127.194 ± 0.019°
• γ: 90°
• Cell volume: 2685.4 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No