Information card for entry 4081234

Structure parameters

• Formula: C22 H19 Cl8 O5 P S
• Calculated formula: C22 H19 Cl8 O5 P S
• SMILES: c1(c(cccc1)[PH+](c1c(cc(cc1)Cl)OC)c1c(cc(cc1)Cl)OC)S(=O)(=O)[O-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Electronic Influences in Phosphinesulfonato Palladium(II) Polymerization Catalysts
• Authors of publication: Wucher, Philipp; Goldbach, Verena; Mecking, Stefan
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 16
• Pages of publication: 4516
• a: 14.5693 ± 0.0007 Å
• b: 14.7414 ± 0.0008 Å
• c: 27.6507 ± 0.0012 Å
• α: 90°
• β: 95.06 ± 0.004°
• γ: 90°
• Cell volume: 5915.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No