Information card for entry 4074063

Structure parameters

• Common name: 1a
• Formula: C31.5 H39 Cl3 N O5 P Pd S Si
• Calculated formula: C31.5 H39 Cl3 N O5 P Pd S Si
• 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: 12.269 ± 0.002 Å
• b: 18.043 ± 0.003 Å
• c: 16.306 ± 0.003 Å
• α: 90°
• β: 104.454 ± 0.003°
• γ: 90°
• Cell volume: 3495.4 ± 1 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 9
• 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: 0.0366
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No